Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
Enamine	EN300-58151

Database	Data ID
PubChem	12262820

M. W.

156.2685

CAS

Similarity

N/A

ID: 265052

5-methyl-1,2-dihydropyrimidine-2-thione

$$$$ Data

M. F.

C5H6N2S

Suppliers	Catalog Number
Enamine	EN300-58154

Database	Data ID
PubChem	4432095

M. W.

126.17954

CAS

Similarity

N/A

ID: 265053

4-(1H-pyrazol-1-yl)piperidine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-58156
Bide Pharmatech	BD215925
A&J Pharmtech	AJA-O21498

Database	Data ID
PubChem	21193045

M. W.

151.20892

CAS

762240-09-5

Similarity

N/A

ID: 265054

ethyl 1-aminocyclohexane-1-carboxylate

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Enamine	EN300-58159

Database	Data ID
PubChem	222863

M. W.

171.23678

CAS

Similarity

N/A

ID: 265055

2-hydrazinyl-5-methylpyridine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
Enamine	EN300-58162

Database	Data ID
PubChem	4153396

M. W.

123.15576

CAS

Similarity

N/A

ID: 265056

2,6-dimethyl-4-(piperidin-4-yl)morpholine

$$$$ Data

M. F.

C11H22N2O

Suppliers	Catalog Number
Enamine	EN300-58173

Database	Data ID
PubChem	3151125

M. W.

198.30518

CAS

Similarity

N/A

ID: 265057

2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Enamine	EN300-58175

Database	Data ID
PubChem	13478359

M. W.

236.3101

CAS

Similarity

N/A

ID: 265058

4-(2,4-difluorophenoxy)piperidine

$$$$ Data

M. F.

C11H13F2NO

Suppliers	Catalog Number
Enamine	EN300-58182

Database	Data ID
PubChem	22397496

M. W.

213.2238264

CAS

Similarity

N/A

ID: 265059

4-(3,4-dimethylphenoxy)piperidine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-58185

Database	Data ID
PubChem	20735335

M. W.

205.29606

CAS

Similarity

N/A

ID: 265060

4-(2,6-dimethylphenoxy)piperidine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Enamine	EN300-58195

Database	Data ID
PubChem	24704823

M. W.

205.29606

CAS

Similarity

N/A

ID: 265061

2-amino-2-ethylbutanenitrile

$$$$ Data

M. F.

C6H12N2

Suppliers	Catalog Number
Enamine	EN300-58197

Database	Data ID
PubChem	12745213

M. W.

112.17288

CAS

Similarity

N/A

ID: 265062

4-(methylamino)benzene-1-sulfonamide

$$$$ Data

M. F.

C7H10N2O2S

Suppliers	Catalog Number
Enamine	EN300-58198

Database	Data ID
PubChem	14612854

M. W.

186.2315

CAS

Similarity

N/A

ID: 265063

3-methyl-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]amino}butanoic acid

$$$$ Data

M. F.

C10H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-58202

Database	Data ID
PubChem	16228194

M. W.

228.31124

CAS

Similarity

N/A

ID: 265064

(2-methoxyethyl)hydrazine

$$$$ Data

M. F.

C3H10N2O

Suppliers	Catalog Number
ChemBridge	4050590
Enamine	EN300-58208

Database	Data ID
PubChem	542451

M. W.

90.1243

CAS

3044-15-3

Similarity

N/A

ID: 265065

4-(2,6-dimethoxyphenoxy)piperidine

$$$$ Data

M. F.

C13H19NO3

Suppliers	Catalog Number
Enamine	EN300-58209

Database	Data ID
PubChem	24692354

M. W.

237.29486

CAS

Similarity

N/A

ID: 265066

2-aminobutanenitrile

$$$$ Data

M. F.

C4H8N2

Suppliers	Catalog Number
Enamine	EN300-58210

Database	Data ID
PubChem	419293

M. W.

84.11972

CAS

Similarity

N/A

ID: 265067

oxolan-2-yl(phenyl)methanamine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Enamine	EN300-58219

Database	Data ID
PubChem	24688943

M. W.

177.2429

CAS

Similarity

N/A

ID: 265068

4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethanamine

$$$$ Data

M. F.

C9H13NS

Suppliers	Catalog Number
Enamine	EN300-58227

Database	Data ID
PubChem	25247411

M. W.

167.27122

CAS

Similarity

N/A

ID: 265069

2-[(pyridin-3-ylmethyl)amino]acetamide

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Enamine	EN300-58229

Database	Data ID
PubChem	16228739

M. W.

165.19244

CAS

Similarity

N/A

ID: 265070

2-[(3-fluorophenyl)methyl]pyrrolidine

$$$$ Data

M. F.

C11H14FN

Suppliers	Catalog Number
Enamine	EN300-58231

Database	Data ID
PubChem	20115106

M. W.

179.2339632

CAS

Similarity

N/A

ID: 265071

ethyl[1-(4-fluorophenyl)ethyl]amine

$$$$ Data

M. F.

C10H14FN

Suppliers	Catalog Number
Enamine	EN300-58248

Database	Data ID
PubChem	21251078

M. W.

167.2232632

CAS

Similarity

N/A

ID: 265072

cyclopentyl(phenyl)methanamine

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Enamine	EN300-58252

Database	Data ID
PubChem	12280947

M. W.

175.27008

CAS

Similarity

N/A

ID: 265073

2-amino-N-(2,2,2-trifluoroethyl)acetamide

$$$$ Data

M. F.

C4H7F3N2O

Suppliers	Catalog Number
Enamine	EN300-58259

Database	Data ID
PubChem	24705143

M. W.

156.1063896

CAS

Similarity

N/A

ID: 265074

2-(quinolin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Enamine	EN300-58268
A&J Pharmtech	AJA-O24483

Database	Data ID
PubChem	10176322

M. W.

172.22638

CAS

104037-38-9

Similarity

N/A

ID: 265075

(1-phenyl-1H-pyrazol-3-yl)methanamine

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Enamine	EN300-58273

Database	Data ID
PubChem	40067790

M. W.

173.21444

CAS

Similarity

N/A

ID: 265076

N-methyl-N-phenylpiperidin-4-amine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-58277

Database	Data ID
PubChem	24696612

M. W.

190.28472

CAS

Similarity

N/A

ID: 265077

(Z)-N'-hydroxy-2-(oxolan-2-yl)ethenimidamide

$$$$ Data

M. F.

C6H12N2O2

Suppliers	Catalog Number
Enamine	EN300-58284

Database	Data ID
PubChem	20119951

M. W.

144.17168

CAS

Similarity

N/A

ID: 265078

5,6,7,8-tetrahydroquinolin-6-amine

$$$$ Data

M. F.

C9H12N2

Suppliers	Catalog Number
Enamine	EN300-58285
A&J Pharmtech	AJA-O18946

Database	Data ID
PubChem	9877412

M. W.

148.20498

CAS

477532-03-9

Similarity

N/A

ID: 265079

4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

$$$$ Data

M. F.

C8H7N3S2

Suppliers	Catalog Number
Enamine	EN300-58293

Database	Data ID
PubChem	23171177

M. W.

209.29128

CAS

Similarity

N/A

ID: 265080

3-[(2-methylpropyl)amino]propanoic acid

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Enamine	EN300-58294

Database	Data ID
PubChem	16228510

M. W.

145.1995

CAS

Similarity

N/A

ID: 265081

5-amino-1-propyl-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Enamine	EN300-58296

Database	Data ID
PubChem	20114714

M. W.

152.19368

CAS

Similarity

N/A

ID: 265082

(2-aminoethoxy)cyclopentane

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-58301

Database	Data ID
PubChem	16783571

M. W.

129.2001

CAS

Similarity

N/A

ID: 265083

2-(2-methylpropoxy)ethan-1-amine

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Enamine	EN300-58315

Database	Data ID
PubChem	18672803

M. W.

117.1894

CAS

Similarity

N/A

ID: 265084

2-amino-2-phenyl-1-(piperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-58323

Database	Data ID
PubChem	14387498

M. W.

218.29482

CAS

Similarity

N/A

ID: 265085

2-amino-1-(morpholin-4-yl)-2-phenylethan-1-one

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Enamine	EN300-58325

Database	Data ID
PubChem	24701957

M. W.

220.26764

CAS

Similarity

N/A

ID: 265086

(4-bromo-2-fluorophenyl)(phenyl)methanamine

$$$$ Data

M. F.

C13H11BrFN

Suppliers	Catalog Number
Enamine	EN300-58363

Database	Data ID
PubChem	24690813

M. W.

280.1355432

CAS

Similarity

N/A

ID: 265087

1-(4-methylphenyl)-2-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Enamine	EN300-58365

Database	Data ID
PubChem	4738715

M. W.

218.29482

CAS

Similarity

N/A

ID: 265088

3-methyl-2-(1H-1,2,4-triazol-1-yl)butanoic acid

$$$$ Data

M. F.

C7H11N3O2

Suppliers	Catalog Number
Enamine	EN300-58368

Database	Data ID
PubChem	18071754

M. W.

169.18114

CAS

Similarity

N/A

ID: 265089

4-methoxy-2-(piperazin-1-yl)pyrimidine

$$$$ Data

M. F.

C9H14N4O

Suppliers	Catalog Number
ChemBridge	4036056
Enamine	EN300-58372

Database	Data ID
PubChem	11480987

M. W.

194.23366

CAS

55745-88-5

Similarity

N/A

ID: 265090

5-bromoisoquinoline-8-sulfonyl chloride

$$$$ Data

M. F.

C9H5BrClNO2S

Suppliers	Catalog Number
Enamine	EN300-58375

Database	Data ID
PubChem	16779238

M. W.

306.5635

CAS

Similarity

N/A

ID: 265091

2-amino-2-phenylpropanoic acid

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
ChemBridge	4023843
Enamine	EN300-58391
A&J Pharmtech	AJA-O39363

Database	Data ID
PubChem	31722

M. W.

165.18914

CAS

171182-02-8

Similarity

N/A

ID: 265092

1-benzylpyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Enamine	EN300-58404
A&J Pharmtech	AJA-O39307

Database	Data ID
PubChem	562952

M. W.

205.253

CAS

60169-72-4

Similarity

N/A

ID: 265093

(4-{[methyl(propan-2-yl)amino]methyl}phenyl)methanamine

$$$$ Data

M. F.

C12H20N2

Suppliers	Catalog Number
Enamine	EN300-58428

Database	Data ID
PubChem	16228062

M. W.

192.3006

CAS

Similarity

N/A

ID: 265094

2-(1H-1,2,4-triazol-1-yl)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H6N4O2

Suppliers	Catalog Number
Enamine	EN300-58433

Database	Data ID
PubChem	18422076

M. W.

190.15884

CAS

Similarity

N/A

ID: 265095

2-(2,3-dihydro-1H-indol-1-yl)-1-(piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C14H19N3O

Suppliers	Catalog Number
Enamine	EN300-58438

Database	Data ID
PubChem	24689739

M. W.

245.32016

CAS

Similarity

N/A

ID: 265096

4-(2-methylpropoxy)piperidine

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
Enamine	EN300-58442

Database	Data ID
PubChem	11701188

M. W.

157.25326

CAS

Similarity

N/A

ID: 265097

(4-fluorophenyl)(oxolan-2-yl)methanamine

$$$$ Data

M. F.

C11H14FNO

Suppliers	Catalog Number
Enamine	EN300-58444

Database	Data ID
PubChem	24689362

M. W.

195.2333632

CAS

Similarity

N/A

ID: 265098

(4-chlorophenyl)(thiophen-3-yl)methanamine

$$$$ Data

M. F.

C11H10ClNS

Suppliers	Catalog Number
Enamine	EN300-58460

Database	Data ID
PubChem	21156718

M. W.

223.7218

CAS

Similarity

N/A

ID: 265099

1-(2-aminoethyl)-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Enamine	EN300-58471

Database	Data ID
PubChem	16791350

M. W.

138.1671

CAS

Similarity

N/A

ID: 265100

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methanamine

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Enamine	EN300-58509

Database	Data ID
PubChem	16228054

M. W.

248.3208

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