Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Enamine	EN300-124851

Database	Data ID
PubChem	12014920

M. W.

152.15062

CAS

Similarity

N/A

ID: 246302

1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C8H14N2O3

Suppliers	Catalog Number
Enamine	EN300-124853

Database	Data ID
PubChem	55252850

M. W.

186.20836

CAS

Similarity

N/A

ID: 246303

1-(4-aminobutyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Enamine	EN300-124854

Database	Data ID
PubChem	71695458

M. W.

200.23494

CAS

Similarity

N/A

ID: 246304

2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2-ethylbutanoic acid

$$$$ Data

M. F.

C16H29NO4

Suppliers	Catalog Number
Enamine	EN300-124855

Database	Data ID
PubChem	71757945

M. W.

299.40576

CAS

Similarity

N/A

ID: 246305

1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C14H23NO4

Suppliers	Catalog Number
Enamine	EN300-124856

Database	Data ID
PubChem	71757946

M. W.

269.33672

CAS

Similarity

N/A

ID: 246306

1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C16H27NO4

Suppliers	Catalog Number
Enamine	EN300-124857

Database	Data ID
PubChem	71757947

M. W.

297.38988

CAS

Similarity

N/A

ID: 246307

4-[(2-amino-1,3-thiazol-5-yl)methyl]benzene-1-sulfonamide

$$$$ Data

M. F.

C10H11N3O2S2

Suppliers	Catalog Number
Enamine	EN300-12486

Database	Data ID
PubChem	4961926

M. W.

269.34324

CAS

Similarity

N/A

ID: 246308

ethyl 2,2-difluoro-2-(pyridin-4-yl)acetate

$$$$ Data

M. F.

C9H9F2NO2

Suppliers	Catalog Number
Enamine	EN300-124861

Database	Data ID
PubChem	59633981

M. W.

201.1700664

CAS

Similarity

N/A

ID: 246309

3-(oxolan-3-ylmethyl)piperidine hydrochloride

$$$$ Data

M. F.

C10H20ClNO

Suppliers	Catalog Number
Enamine	EN300-124863

Database	Data ID
PubChem	71757948

M. W.

205.7249

CAS

Similarity

N/A

ID: 246310

thiomorpholin-3-ylmethanamine

$$$$ Data

M. F.

C5H12N2S

Suppliers	Catalog Number
Enamine	EN300-124864

Database	Data ID
PubChem	13487765

M. W.

132.22718

CAS

Similarity

N/A

ID: 246311

9-methyl-6-azaspiro[3.5]nonane

$$$$ Data

M. F.

C9H17N

Suppliers	Catalog Number
Enamine	EN300-124866

Database	Data ID
PubChem	71757949

M. W.

139.23798

CAS

Similarity

N/A

ID: 246312

(5-ethyl-1,3-thiazol-2-yl)methanol

$$$$ Data

M. F.

C6H9NOS

Suppliers	Catalog Number
Enamine	EN300-124868

Database	Data ID
PubChem	62924313

M. W.

143.20676

CAS

Similarity

N/A

ID: 246313

6-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Enamine	EN300-124869

Database	Data ID
PubChem	71757950

M. W.

176.21508

CAS

Similarity

N/A

ID: 246314

4-(4-aminophenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H12N2O2S

Suppliers	Catalog Number
Enamine	EN300-12487

Database	Data ID
PubChem	4961927

M. W.

248.30088

CAS

100142-87-8

Similarity

N/A

ID: 246315

spiro[2.5]octan-1-amine hydrochloride

$$$$ Data

M. F.

C8H16ClN

Suppliers	Catalog Number
Enamine	EN300-124870

Database	Data ID
PubChem	71757951

M. W.

161.67234

CAS

Similarity

N/A

ID: 246316

5-amino-1-phenyl-2,3-dihydro-1H-pyrazol-3-one

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-124873

Database	Data ID
PubChem	320007

M. W.

175.18726

CAS

Similarity

N/A

ID: 246317

methyl[2-(pyrazin-2-yl)ethyl]amine

$$$$ Data

M. F.

C7H11N3

Suppliers	Catalog Number
Enamine	EN300-124874

Database	Data ID
PubChem	57825667

M. W.

137.18234

CAS

Similarity

N/A

ID: 246318

4-(pyridin-3-yloxy)phenol

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Enamine	EN300-124875

Database	Data ID
PubChem	12940630

M. W.

187.19466

CAS

Similarity

N/A

ID: 246319

2-(pyridin-3-yloxy)phenol

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Enamine	EN300-124877

Database	Data ID
PubChem	23728713

M. W.

187.19466

CAS

Similarity

N/A

ID: 246320

3-(4-fluorophenoxy)phenol

$$$$ Data

M. F.

C12H9FO2

Suppliers	Catalog Number
Enamine	EN300-124878

Database	Data ID
PubChem	23227624

M. W.

204.1970632

CAS

Similarity

N/A

ID: 246321

2-(piperidin-3-yl)-1,3-benzoxazole

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
ChemBridge	4003381
Enamine	EN300-12488
A&J Pharmtech	AJA-O29686

Database	Data ID
PubChem	4961928

M. W.

202.25236

CAS

754126-86-8

Similarity

N/A

ID: 246322

5-amino-1-methyl-6-(thiophen-2-yl)piperidin-2-one hydrochloride

$$$$ Data

M. F.

C10H15ClN2OS

Suppliers	Catalog Number
Enamine	EN300-124880

Database	Data ID
PubChem	71757952

M. W.

246.7569

CAS

Similarity

N/A

ID: 246323

tert-butyl N-[3-(2-methylpyrrolidin-2-yl)propyl]carbamate

$$$$ Data

M. F.

C13H26N2O2

Suppliers	Catalog Number
Enamine	EN300-124881

Database	Data ID
PubChem	71757953

M. W.

242.35774

CAS

Similarity

N/A

ID: 246324

1-[(tert-butoxy)carbonyl]-2-ethylpyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C12H21NO4

Suppliers	Catalog Number
Enamine	EN300-124882

Database	Data ID
PubChem	71302101

M. W.

243.29944

CAS

Similarity

N/A

ID: 246325

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,6-tetrahydropyridine hydrochloride

$$$$ Data

M. F.

C13H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-124883

Database	Data ID
PubChem	71757954

M. W.

253.72464

CAS

Similarity

N/A

ID: 246326

N-[2-(morpholin-4-yl)ethyl]-3-(trifluoromethyl)aniline dihydrochloride

$$$$ Data

M. F.

C13H19Cl2F3N2O

Suppliers	Catalog Number
Enamine	EN300-124884

Database	Data ID
PubChem	71757955

M. W.

347.2039696

CAS

Similarity

N/A

ID: 246327

(cyclopropylmethyl)(ethyl)[2-(piperidin-4-yl)ethyl]amine

$$$$ Data

M. F.

C13H26N2

Suppliers	Catalog Number
Enamine	EN300-124887

Database	Data ID
PubChem	63953995

M. W.

210.35894

CAS

Similarity

N/A

ID: 246328

ethyl(2-methylpropyl)[2-(piperidin-4-yl)ethyl]amine

$$$$ Data

M. F.

C13H28N2

Suppliers	Catalog Number
Enamine	EN300-124888

Database	Data ID
PubChem	43273793

M. W.

212.37482

CAS

Similarity

N/A

ID: 246329

4-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine

$$$$ Data

M. F.

C12H12N2OS

Suppliers	Catalog Number
Enamine	EN300-124891

Database	Data ID
PubChem	43141113

M. W.

232.30148

CAS

Similarity

N/A

ID: 246330

2-benzoylpyrimidine

$$$$ Data

M. F.

C11H8N2O

Suppliers	Catalog Number
Enamine	EN300-124892

Database	Data ID
PubChem	10352351

M. W.

184.19402

CAS

Similarity

N/A

ID: 246331

methyl 3-(chlorosulfonyl)-2,6-dimethoxybenzoate

$$$$ Data

M. F.

C10H11ClO6S

Suppliers	Catalog Number
Enamine	EN300-124893

Database	Data ID
PubChem	43381742

M. W.

294.70874

CAS

Similarity

N/A

ID: 246332

2-(4-fluoro-3-methoxyphenyl)ethan-1-amine

$$$$ Data

M. F.

C9H12FNO

Suppliers	Catalog Number
Enamine	EN300-124895

Database	Data ID
PubChem	14901809

M. W.

169.1960832

CAS

Similarity

N/A

ID: 246333

2-(cyclohexyloxy)pyridin-4-amine

$$$$ Data

M. F.

C11H16N2O

Suppliers	Catalog Number
Enamine	EN300-124898

Database	Data ID
PubChem	61709990

M. W.

192.25754

CAS

Similarity

N/A

ID: 246334

2-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C4H10ClN5

Suppliers	Catalog Number
Enamine	EN300-124904

Database	Data ID
PubChem	71757956

M. W.

163.6087

CAS

Similarity

N/A

ID: 246335

1-[2-(hydroxymethyl)phenyl]ethan-1-ol

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Enamine	EN300-124906

Database	Data ID
PubChem	576911

M. W.

152.19038

CAS

Similarity

N/A

ID: 246336

octahydropyrano[4,3-b]morpholine hydrochloride

$$$$ Data

M. F.

C7H14ClNO2

Suppliers	Catalog Number
Enamine	EN300-124908

Database	Data ID
PubChem	71757957

M. W.

179.64456

CAS

Similarity

N/A

ID: 246337

2-methyl-octahydropyrano[4,3-b]morpholine hydrochloride

$$$$ Data

M. F.

C8H16ClNO2

Suppliers	Catalog Number
Enamine	EN300-124909

Database	Data ID
PubChem	71757958

M. W.

193.67114

CAS

Similarity

N/A

ID: 246338

2-(aminomethyl)pent-4-en-1-ol hydrochloride

$$$$ Data

M. F.

C6H14ClNO

Suppliers	Catalog Number
Enamine	EN300-124912

Database	Data ID
PubChem	71757959

M. W.

151.63446

CAS

Similarity

N/A

ID: 246339

2-[(tert-butoxy)methyl]benzoic acid

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Enamine	EN300-124914

Database	Data ID
PubChem	43473180

M. W.

208.25364

CAS

Similarity

N/A

ID: 246340

3-[2-(pyrrolidin-1-yl)ethyl]aniline dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N2

Suppliers	Catalog Number
Enamine	EN300-124915

Database	Data ID
PubChem	71757960

M. W.

263.2066

CAS

Similarity

N/A

ID: 246341

3-(chloromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

$$$$ Data

M. F.

C4H6ClN3O

Suppliers	Catalog Number
Enamine	EN300-124918

Database	Data ID
PubChem	71757961

M. W.

147.56294

CAS

Similarity

N/A

ID: 246342

1-tert-butyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

$$$$ Data

M. F.

C7H13N3O

Suppliers	Catalog Number
Enamine	EN300-124919

Database	Data ID
PubChem	71757962

M. W.

155.19762

CAS

Similarity

N/A

ID: 246343

2-[(4-chlorophenyl)sulfanyl]cyclohex-1-ene-1-carboxylic acid

$$$$ Data

M. F.

C13H13ClO2S

Suppliers	Catalog Number
Enamine	EN300-12492

Database	Data ID
PubChem	4961931

M. W.

268.75912

CAS

Similarity

N/A

ID: 246344

1-tert-butyl-4,5-dihydro-1H-1,2,4-triazol-5-one

$$$$ Data

M. F.

C6H11N3O

Suppliers	Catalog Number
Enamine	EN300-124920

Database	Data ID
PubChem	71757963

M. W.

141.17104

CAS

Similarity

N/A

ID: 246345

tert-butyl 4-(N-methylhydrazinecarbonyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C11H22N4O3

Suppliers	Catalog Number
Enamine	EN300-124921

Database	Data ID
PubChem	71757964

M. W.

258.31738

CAS

Similarity

N/A

ID: 246346

2-[(4-methylphenyl)sulfanyl]cyclohex-1-ene-1-carboxylic acid

$$$$ Data

M. F.

C14H16O2S

Suppliers	Catalog Number
Enamine	EN300-12493

Database	Data ID
PubChem	4961932

M. W.

248.34064

CAS

Similarity

N/A

ID: 246347

2,4-dibromo-5-(chlorosulfonyl)benzoic acid

$$$$ Data

M. F.

C7H3Br2ClO4S

Suppliers	Catalog Number
Enamine	EN300-124932

Database	Data ID
PubChem	71757965

M. W.

378.42232

CAS

Similarity

N/A

ID: 246348

2-[(4-chlorophenyl)sulfanyl]cyclohex-1-ene-1-carbaldehyde

$$$$ Data

M. F.

C13H13ClOS

Suppliers	Catalog Number
Enamine	EN300-12494

Database	Data ID
PubChem	4961933

M. W.

252.75972

CAS

Similarity

N/A

ID: 246349

2-[(4-methylphenyl)sulfanyl]cyclohex-1-ene-1-carbaldehyde

$$$$ Data

M. F.

C14H16OS

Suppliers	Catalog Number
Enamine	EN300-12495

Database	Data ID
PubChem	4961934

M. W.

232.34124

CAS

Similarity

N/A

ID: 246350

2,2-diethyl-3-methoxy-4-methylcyclobutan-1-amine

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
Enamine	EN300-124955

Database	Data ID
PubChem	71757966

M. W.

171.27984

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified