Chembase list of 866358 unique molecular structures

2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Enamine	EN300-83965

Database	Data ID
PubChem	20784714

M. W.

167.20832

CAS

Similarity

N/A

ID: 278402

5-amino-N-tert-butyl-2,4-difluorobenzene-1-sulfonamide

$$$$ Data

M. F.

C10H14F2N2O2S

Suppliers	Catalog Number
Enamine	EN300-83966

Database	Data ID
PubChem	29054504

M. W.

264.2921664

CAS

Similarity

N/A

ID: 278403

3-hydroxy-2-(thiophene-2-sulfonamido)butanoic acid

$$$$ Data

M. F.

C8H11NO5S2

Suppliers	Catalog Number
Enamine	EN300-83967

Database	Data ID
PubChem	16778089

M. W.

265.30664

CAS

Similarity

N/A

ID: 278404

(3-methanesulfonylphenyl)(4-methoxyphenyl)methanone

$$$$ Data

M. F.

C15H14O4S

Suppliers	Catalog Number
Enamine	EN300-83969

Database	Data ID
PubChem	43338402

M. W.

290.33426

CAS

Similarity

N/A

ID: 278405

4-amino-N,N,2-trimethylbenzamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-83970

Database	Data ID
PubChem	53622912

M. W.

178.23096

CAS

Similarity

N/A

ID: 278406

2-amino-3-ethoxy-6-fluorobenzoic acid

$$$$ Data

M. F.

C9H10FNO3

Suppliers	Catalog Number
Enamine	EN300-83971

Database	Data ID
PubChem	53623250

M. W.

199.1790032

CAS

Similarity

N/A

ID: 278407

4-chloro-6-(difluoromethoxy)-2-methylquinoline

$$$$ Data

M. F.

C11H8ClF2NO

Suppliers	Catalog Number
Enamine	EN300-83972

Database	Data ID
PubChem	43668822

M. W.

243.6371264

CAS

Similarity

N/A

ID: 278408

7-(2-bromoethoxy)-4-methyl-2H-chromen-2-one

$$$$ Data

M. F.

C12H11BrO3

Suppliers	Catalog Number
Enamine	EN300-83973

Database	Data ID
PubChem	344400

M. W.

283.11794

CAS

Similarity

N/A

ID: 278409

5-[({2-[4-(propan-2-yl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-4H-1,2,4-triazo...

$$$$ Data

M. F.

C15H17N5S2

Suppliers	Catalog Number
Enamine	EN300-83974

Database	Data ID
PubChem	8011021

M. W.

331.45898

CAS

Similarity

N/A

ID: 278410

2-(cyclopropylmethoxy)-4-fluoroaniline hydrochloride

$$$$ Data

M. F.

C10H13ClFNO

Suppliers	Catalog Number
Enamine	EN300-83980

Database	Data ID
PubChem	53536983

M. W.

217.6677232

CAS

Similarity

N/A

ID: 278411

2-amino-1-(2,6-dichlorophenyl)ethan-1-ol hydrochloride

$$$$ Data

M. F.

C8H10Cl3NO

Suppliers	Catalog Number
Enamine	EN300-83982

Database	Data ID
PubChem	23340178

M. W.

242.5301

CAS

Similarity

N/A

ID: 278412

3-[(piperidin-4-yl)amino]-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C9H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-83983

Database	Data ID
PubChem	43511755

M. W.

218.31642

CAS

Similarity

N/A

ID: 278413

1-[2-(aminomethyl)phenoxy]-2-methylpropan-2-ol

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Enamine	EN300-83984

Database	Data ID
PubChem	54594877

M. W.

195.25818

CAS

Similarity

N/A

ID: 278414

5-amino-6-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one

$$$$ Data

M. F.

C9H14N4O

Suppliers	Catalog Number
Enamine	EN300-83985

Database	Data ID
PubChem	54594878

M. W.

194.23366

CAS

Similarity

N/A

ID: 278415

ethyl 6-cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

$$$$ Data

M. F.

C15H18N2O3

Suppliers	Catalog Number
Enamine	EN300-83986

Database	Data ID
PubChem	53534955

M. W.

274.31502

CAS

Similarity

N/A

ID: 278416

3-(3-bromophenyl)-2-(1,1-dioxo-1λ⁶-thiolan-3-yl)propanoic acid

$$$$ Data

M. F.

C13H15BrO4S

Suppliers	Catalog Number
Enamine	EN300-83987

Database	Data ID
PubChem	54594879

M. W.

347.2248

CAS

Similarity

N/A

ID: 278417

2,3-dimethylcyclohexan-1-one

$$$$ Data

M. F.

C8H14O

Suppliers	Catalog Number
Enamine	EN300-83989

Database	Data ID
PubChem	114508

M. W.

126.19616

CAS

Similarity

N/A

ID: 278418

[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methanamine

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Enamine	EN300-83991

Database	Data ID
PubChem	46785409

M. W.

236.3101

CAS

Similarity

N/A

ID: 278419

3-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylpropanamide

$$$$ Data

M. F.

C8H14N4O

Suppliers	Catalog Number
Enamine	EN300-83993

Database	Data ID
PubChem	54594880

M. W.

182.22296

CAS

Similarity

N/A

ID: 278420

2-[(2-bromoethoxy)methyl]oxolane

$$$$ Data

M. F.

C7H13BrO2

Suppliers	Catalog Number
Enamine	EN300-83998

Database	Data ID
PubChem	24689342

M. W.

209.08092

CAS

Similarity

N/A

ID: 278421

ethyl 1-benzylpiperidine-2-carboxylate

$$$$ Data

M. F.

C15H21NO2

Suppliers	Catalog Number
Enamine	EN300-83999
A&J Pharmtech	AJA-O35254

Database	Data ID
PubChem	2838690

M. W.

247.33274

CAS

77034-34-5

Similarity

N/A

ID: 278422

2-(carbamimidoylsulfanyl)acetonitrile

$$$$ Data

M. F.

C3H5N3S

Suppliers	Catalog Number
Enamine	EN300-84008

Database	Data ID
PubChem	108840

M. W.

115.1569

CAS

Similarity

N/A

ID: 278423

(prop-2-en-1-ylsulfanyl)methanimidamide

$$$$ Data

M. F.

C4H8N2S

Suppliers	Catalog Number
Enamine	EN300-84009

Database	Data ID
PubChem	75687

M. W.

116.18472

CAS

Similarity

N/A

ID: 278424

N-methyl(methylsulfanyl)methanimidamide

$$$$ Data

M. F.

C3H8N2S

Suppliers	Catalog Number
Enamine	EN300-84010

Database	Data ID
PubChem	5204798

M. W.

104.17402

CAS

Similarity

N/A

ID: 278425

(1R)-1-cyclopropylethan-1-amine

$$$$ Data

M. F.

C5H11N

Suppliers	Catalog Number
Alfa Aesar	H26902
Enamine	EN300-84011

Database	Data ID
PubChem	7016286

M. W.

85.14754

CAS

6240-96-6

Similarity

N/A

ID: 278426

(2-hydroxyethyl)thiourea

$$$$ Data

M. F.

C3H8N2OS

Suppliers	Catalog Number
Enamine	EN300-84014

Database	Data ID
PubChem	3254090

M. W.

120.17342

CAS

Similarity

N/A

ID: 278427

1-(dimethylamino)guanidine

$$$$ Data

M. F.

C3H10N4

Suppliers	Catalog Number
Enamine	EN300-84015

Database	Data ID
PubChem	4637656

M. W.

102.1383

CAS

Similarity

N/A

ID: 278428

(2-sulfanylethyl)thiourea

$$$$ Data

M. F.

C3H8N2S2

Suppliers	Catalog Number
Enamine	EN300-84016

Database	Data ID
PubChem	20389641

M. W.

136.23902

CAS

Similarity

N/A

ID: 278429

4-methylpiperidin-3-amine

$$$$ Data

M. F.

C6H14N2

Suppliers	Catalog Number
Enamine	EN300-84017

Database	Data ID
PubChem	18333197

M. W.

114.18876

CAS

Similarity

N/A

ID: 278430

2-ethoxycyclopropan-1-amine

$$$$ Data

M. F.

C5H11NO

Suppliers	Catalog Number
Enamine	EN300-84018

Database	Data ID
PubChem	54594881

M. W.

101.14694

CAS

Similarity

N/A

ID: 278431

2-oxabicyclo[4.1.0]heptan-7-amine

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-84019

Database	Data ID
PubChem	54594882

M. W.

113.15764

CAS

Similarity

N/A

ID: 278432

4-nitroso-1H-pyrazol-5-amine

$$$$ Data

M. F.

C3H4N4O

Suppliers	Catalog Number
Enamine	EN300-84020

Database	Data ID
PubChem	18769505

M. W.

112.09006

CAS

Similarity

N/A

ID: 278433

3-amino-N-methylbut-2-enamide

$$$$ Data

M. F.

C5H10N2O

Suppliers	Catalog Number
Enamine	EN300-84021

Database	Data ID
PubChem	23004108

M. W.

114.1457

CAS

Similarity

N/A

ID: 278434

tert-butyl N-(thiomorpholin-3-ylmethyl)carbamate

$$$$ Data

M. F.

C10H20N2O2S

Suppliers	Catalog Number
Enamine	EN300-84024

Database	Data ID
PubChem	54594883

M. W.

232.343

CAS

Similarity

N/A

ID: 278435

1-(bromomethyl)-2-fluoro-4-nitrobenzene

$$$$ Data

M. F.

C7H5BrFNO2

Suppliers	Catalog Number
Enamine	EN300-84033
A&J Pharmtech	AJA-O19438

Database	Data ID
PubChem	21886132

M. W.

234.0225032

CAS

127349-56-8

Similarity

N/A

ID: 278436

2-(5-methylfuran-2-yl)propanoic acid

$$$$ Data

M. F.

C8H10O3

Suppliers	Catalog Number
Enamine	EN300-84038

Database	Data ID
PubChem	23726632

M. W.

154.1632

CAS

Similarity

N/A

ID: 278437

3-amino-3-(thiophen-2-yl)propan-1-ol

$$$$ Data

M. F.

C7H11NOS

Suppliers	Catalog Number
Enamine	EN300-84048

Database	Data ID
PubChem	2766201

M. W.

157.23334

CAS

Similarity

N/A

ID: 278438

1-amino-2-(thiophen-3-yl)propan-2-ol

$$$$ Data

M. F.

C7H11NOS

Suppliers	Catalog Number
Enamine	EN300-84049

Database	Data ID
PubChem	54594884

M. W.

157.23334

CAS

Similarity

N/A

ID: 278439

3-aminopentan-1-ol

$$$$ Data

M. F.

C5H13NO

Suppliers	Catalog Number
Enamine	EN300-84050

Database	Data ID
PubChem	20129993

M. W.

103.16282

CAS

Similarity

N/A

ID: 278440

1-amino-2,5-dimethylhexan-2-ol

$$$$ Data

M. F.

C8H19NO

Suppliers	Catalog Number
Enamine	EN300-84051

Database	Data ID
PubChem	43436655

M. W.

145.24256

CAS

Similarity

N/A

ID: 278441

2-(7-methyl-1H-indol-3-yl)acetic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-84053

Database	Data ID
PubChem	228473

M. W.

189.21054

CAS

Similarity

N/A

ID: 278442

3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Enamine	EN300-84054

Database	Data ID
PubChem	43155368

M. W.

169.2209

CAS

Similarity

N/A

ID: 278443

N-benzylcyclopropanamine hydrochloride

$$$$ Data

M. F.

C10H14ClN

Suppliers	Catalog Number
Enamine	EN300-84055

Database	Data ID
PubChem	12727119

M. W.

183.67786

CAS

Similarity

N/A

ID: 278444

N-(6-bromopyridin-2-yl)benzamide

$$$$ Data

M. F.

C12H9BrN2O

Suppliers	Catalog Number
Enamine	EN300-84057

Database	Data ID
PubChem	43520453

M. W.

277.11666

CAS

Similarity

N/A

ID: 278445

2-(butane-1-sulfonamido)-3-hydroxybutanoic acid

$$$$ Data

M. F.

C8H17NO5S

Suppliers	Catalog Number
Enamine	EN300-84059

Database	Data ID
PubChem	16771136

M. W.

239.28928

CAS

Similarity

N/A

ID: 278446

1-benzyl-3-methyl-1,4-diazepane

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Enamine	EN300-84060

Database	Data ID
PubChem	12438049

M. W.

204.3113

CAS

Similarity

N/A

ID: 278447

methyl 3-amino-3-[4-(propan-2-yl)phenyl]propanoate

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Enamine	EN300-84062

Database	Data ID
PubChem	2769455

M. W.

221.29546

CAS

Similarity

N/A

ID: 278448

1-(4-chlorophenyl)-3-methylbutan-1-one

$$$$ Data

M. F.

C11H13ClO

Suppliers	Catalog Number
Enamine	EN300-84066

Database	Data ID
PubChem	11446915

M. W.

196.67332

CAS

Similarity

N/A

ID: 278449

2-(aminomethyl)cyclohexan-1-ol

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Enamine	EN300-84067

Database	Data ID
PubChem	533885

M. W.

129.2001

CAS

Similarity

N/A

ID: 278450

3-(trifluoromethyl)pyrrolidin-3-ol hydrochloride

$$$$ Data

M. F.

C5H9ClF3NO

Suppliers	Catalog Number
Enamine	EN300-84068

Database	Data ID
PubChem	54594885

M. W.

191.5792696

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