Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
Enamine	EN300-51182

Database	Data ID
PubChem	76973

M. W.

131.17292

CAS

Similarity

N/A

ID: 261602

ethyl 2-(propylamino)acetate

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Enamine	EN300-51183

Database	Data ID
PubChem	13454968

M. W.

145.1995

CAS

Similarity

N/A

ID: 261603

1-(4-methoxyphenyl)-1,4-diazepane

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Enamine	EN300-51186

Database	Data ID
PubChem	16119628

M. W.

206.28412

CAS

Similarity

N/A

ID: 261604

1-(4-methylphenyl)-1,4-diazepane

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-51187

Database	Data ID
PubChem	21061688

M. W.

190.28472

CAS

Similarity

N/A

ID: 261605

4-methyl-5-nitro-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Enamine	EN300-51195

Database	Data ID
PubChem	345371

M. W.

154.12344

CAS

Similarity

N/A

ID: 261606

4-methyl-5-nitropyridin-2-amine hydrate

$$$$ Data

M. F.

C6H9N3O3

Suppliers	Catalog Number
Enamine	EN300-51196

Database	Data ID
PubChem	45791845

M. W.

171.15396

CAS

Similarity

N/A

ID: 261607

2,2,2-trifluoroethyl N-(2-acetylphenyl)carbamate

$$$$ Data

M. F.

C11H10F3NO3

Suppliers	Catalog Number
Enamine	EN300-51198

Database	Data ID
PubChem	71758723

M. W.

261.1972096

CAS

Similarity

N/A

ID: 261608

(E)-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide

$$$$ Data

M. F.

C7H7N5O

Suppliers	Catalog Number
Alfa Aesar	H58090
Enamine	EN300-51199

Database	Data ID
PubChem	16767471

M. W.

177.16338

CAS

Similarity

N/A

ID: 261609

3-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde

$$$$ Data

M. F.

C12H15FN2O

Suppliers	Catalog Number
Enamine	EN300-51200

Database	Data ID
PubChem	28603585

M. W.

222.2587032

CAS

Similarity

N/A

ID: 261610

N-(2-aminoethyl)-4-methylbenzamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Enamine	EN300-51203

Database	Data ID
PubChem	13576898

M. W.

178.23096

CAS

Similarity

N/A

ID: 261611

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine

$$$$ Data

M. F.

C14H14FN5S

Suppliers	Catalog Number
Enamine	EN300-51204

Database	Data ID
PubChem	45791846

M. W.

303.3578632

CAS

Similarity

N/A

ID: 261612

ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C6H9N3O4S

Suppliers	Catalog Number
Enamine	EN300-51207

Database	Data ID
PubChem	3024591

M. W.

219.21836

CAS

Similarity

N/A

ID: 261613

{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine dihydrochloride

$$$$ Data

M. F.

C9H20Cl2N2

Suppliers	Catalog Number
Enamine	EN300-51208

Database	Data ID
PubChem	45791847

M. W.

227.1745

CAS

Similarity

N/A

ID: 261614

4-(methylamino)benzamide hydrochloride

$$$$ Data

M. F.

C8H11ClN2O

Suppliers	Catalog Number
Enamine	EN300-51209

Database	Data ID
PubChem	45791848

M. W.

186.63874

CAS

Similarity

N/A

ID: 261615

6-acetamidohexanamide

$$$$ Data

M. F.

C8H16N2O2

Suppliers	Catalog Number
Enamine	EN300-51210

Database	Data ID
PubChem	21103226

M. W.

172.22484

CAS

Similarity

N/A

ID: 261616

[(3,4-dichlorophenyl)methyl](3-methylbutyl)amine

$$$$ Data

M. F.

C12H17Cl2N

Suppliers	Catalog Number
Enamine	EN300-51211

Database	Data ID
PubChem	17206875

M. W.

246.17608

CAS

Similarity

N/A

ID: 261617

2-(chloromethyl)-4,5-dimethyl-1,3-oxazole

$$$$ Data

M. F.

C6H8ClNO

Suppliers	Catalog Number
Enamine	EN300-51212

Database	Data ID
PubChem	15176125

M. W.

145.58682

CAS

Similarity

N/A

ID: 261618

{3-[(dimethylamino)methyl]phenyl}methanol

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Enamine	EN300-51214

Database	Data ID
PubChem	12952018

M. W.

165.2322

CAS

Similarity

N/A

ID: 261619

(4-ethylcyclohexyl)methanamine

$$$$ Data

M. F.

C9H19N

Suppliers	Catalog Number
Enamine	EN300-51215

Database	Data ID
PubChem	22484506

M. W.

141.25386

CAS

Similarity

N/A

ID: 261620

1-(4-fluorophenyl)-1,4-diazepane

$$$$ Data

M. F.

C11H15FN2

Suppliers	Catalog Number
ChemBridge	4010847
Enamine	EN300-51216

Database	Data ID
PubChem	16119682

M. W.

194.2486032

CAS

751468-47-0

Similarity

N/A

ID: 261621

1-phenyl-1,4-diazepane

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
ChemBridge	4010841
Enamine	EN300-51218

Database	Data ID
PubChem	10921049

M. W.

176.25814

CAS

61903-27-3

Similarity

N/A

ID: 261622

tert-butyl(propyl)amine hydrochloride

$$$$ Data

M. F.

C7H18ClN

Suppliers	Catalog Number
Enamine	EN300-51219

Database	Data ID
PubChem	21421210

M. W.

151.67752

CAS

Similarity

N/A

ID: 261623

6-(benzyloxy)pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H10N2O

Suppliers	Catalog Number
Enamine	EN300-51220

Database	Data ID
PubChem	24700106

M. W.

210.2313

CAS

Similarity

N/A

ID: 261624

[4-(propan-2-yloxy)phenyl]methanol

$$$$ Data

M. F.

C10H14O2

Suppliers	Catalog Number
Enamine	EN300-51221

Database	Data ID
PubChem	250081

M. W.

166.21696

CAS

Similarity

N/A

ID: 261625

2-bromo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

$$$$ Data

M. F.

C5H2BrN3OS

Suppliers	Catalog Number
Enamine	EN300-51223

Database	Data ID
PubChem	47002144

M. W.

232.05788

CAS

Similarity

N/A

ID: 261626

2-bromo-7-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

$$$$ Data

M. F.

C11H6BrN3OS

Suppliers	Catalog Number
Enamine	EN300-51224

Database	Data ID
PubChem	45791849

M. W.

308.15384

CAS

Similarity

N/A

ID: 261627

2-bromo-7-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

$$$$ Data

M. F.

C7H6BrN3OS

Suppliers	Catalog Number
Enamine	EN300-51226

Database	Data ID
PubChem	45791850

M. W.

260.11104

CAS

Similarity

N/A

ID: 261628

2-bromo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

$$$$ Data

M. F.

C8H8BrN3OS

Suppliers	Catalog Number
Enamine	EN300-51228

Database	Data ID
PubChem	45791851

M. W.

274.13762

CAS

Similarity

N/A

ID: 261629

5-chloro-[1,2,3,4]tetrazolo[1,5-a]pyrazine

$$$$ Data

M. F.

C4H2ClN5

Suppliers	Catalog Number
Enamine	EN300-51229

Database	Data ID
PubChem	45791852

M. W.

155.54518

CAS

Similarity

N/A

ID: 261630

2-methylpropanimidamide

$$$$ Data

M. F.

C4H10N2

Suppliers	Catalog Number
ChemBridge	4034735
Enamine	EN300-51233
A&J Pharmtech	AJA-O40227

Database	Data ID
PubChem	415118

M. W.

86.1356

CAS

57536-10-4

Similarity

N/A

ID: 261631

4-chloro-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2-yl)butanenitrile

$$$$ Data

M. F.

C12H8ClN3O2

Suppliers	Catalog Number
Enamine	EN300-51237

Database	Data ID
PubChem	54592513

M. W.

261.66382

CAS

Similarity

N/A

ID: 261632

2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetic acid hydrochloride

$$$$ Data

M. F.

C9H12ClNO2S

Suppliers	Catalog Number
Enamine	EN300-51239

Database	Data ID
PubChem	45791853

M. W.

233.71508

CAS

Similarity

N/A

ID: 261633

2,4,5-triazatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-...

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Enamine	EN300-51245

Database	Data ID
PubChem	45791854

M. W.

174.2025

CAS

Similarity

N/A

ID: 261634

4-azatricyclo[4.3.1.1³,⁸]undecane

$$$$ Data

M. F.

C10H17N

Suppliers	Catalog Number
ChemBridge	4003084
Enamine	EN300-51246

Database	Data ID
PubChem	32272

M. W.

151.24868

CAS

22776-74-5

Similarity

N/A

ID: 261635

2-(propylamino)acetic acid hydrochloride

$$$$ Data

M. F.

C5H12ClNO2

Suppliers	Catalog Number
Enamine	EN300-51247

Database	Data ID
PubChem	24186928

M. W.

153.60728

CAS

Similarity

N/A

ID: 261636

4-[(ethylsulfanyl)methyl]benzoic acid

$$$$ Data

M. F.

C10H12O2S

Suppliers	Catalog Number
Enamine	EN300-51250

Database	Data ID
PubChem	28412560

M. W.

196.26608

CAS

Similarity

N/A

ID: 261637

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

$$$$ Data

M. F.

C14H20ClN3O

Suppliers	Catalog Number
Enamine	EN300-51251

Database	Data ID
PubChem	45791855

M. W.

281.7811

CAS

Similarity

N/A

ID: 261638

3-methylpiperidine-1-carbothioamide

$$$$ Data

M. F.

C7H14N2S

Suppliers	Catalog Number
Enamine	EN300-51252

Database	Data ID
PubChem	16789676

M. W.

158.26446

CAS

Similarity

N/A

ID: 261639

1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine hydrochloride

$$$$ Data

M. F.

C11H19ClN2S

Suppliers	Catalog Number
Enamine	EN300-51253

Database	Data ID
PubChem	45791856

M. W.

246.79996

CAS

Similarity

N/A

ID: 261640

7-bromo-2-phenylquinoline-4-carboxylic acid

$$$$ Data

M. F.

C16H10BrNO2

Suppliers	Catalog Number
Enamine	EN300-51254

Database	Data ID
PubChem	4501611

M. W.

328.1601

CAS

Similarity

N/A

ID: 261641

1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride

$$$$ Data

M. F.

C7H5ClN2O2S

Suppliers	Catalog Number
Enamine	EN300-51255

Database	Data ID
PubChem	24749938

M. W.

216.6448

CAS

Similarity

N/A

ID: 261642

(2-methoxyethyl)(1-methoxypropan-2-yl)amine

$$$$ Data

M. F.

C7H17NO2

Suppliers	Catalog Number
Enamine	EN300-51256

Database	Data ID
PubChem	43199128

M. W.

147.21538

CAS

Similarity

N/A

ID: 261643

7-chloro-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

$$$$ Data

M. F.

C10H6ClN5

Suppliers	Catalog Number
Enamine	EN300-51264

Database	Data ID
PubChem	11107188

M. W.

231.64114

CAS

Similarity

N/A

ID: 261644

2H-1λ⁶,2,3-benzothiadiazine-1,1-dione

$$$$ Data

M. F.

C7H6N2O2S

Suppliers	Catalog Number
Enamine	EN300-51265

Database	Data ID
PubChem	3294423

M. W.

182.19974

CAS

Similarity

N/A

ID: 261645

1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Enamine	EN300-51266

Database	Data ID
PubChem	47002145

M. W.

175.18726

CAS

Similarity

N/A

ID: 261646

5-(chloromethyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine

$$$$ Data

M. F.

C9H10ClN3

Suppliers	Catalog Number
Enamine	EN300-51267

Database	Data ID
PubChem	10512065

M. W.

195.6488

CAS

Similarity

N/A

ID: 261647

3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Enamine	EN300-51268

Database	Data ID
PubChem	45791858

M. W.

161.16068

CAS

Similarity

N/A

ID: 261648

{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine hydrochloride

$$$$ Data

M. F.

C9H19ClN2

Suppliers	Catalog Number
Enamine	EN300-51269

Database	Data ID
PubChem	45791859

M. W.

190.71356

CAS

Similarity

N/A

ID: 261649

6-formylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

$$$$ Data

M. F.

C8H4N4O

Suppliers	Catalog Number
Enamine	EN300-51270

Database	Data ID
PubChem	50990808

M. W.

172.14356

CAS

Similarity

N/A

ID: 261650

1-tert-butyl-5-formyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
Enamine	EN300-51275

Database	Data ID
PubChem	47002146

M. W.

227.26182

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