Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H8N4O

Suppliers	Catalog Number
Enamine	EN300-70842

Database	Data ID
PubChem	4196186

M. W.

140.14322

CAS

Similarity

N/A

ID: 271302

methyl({[2-(prop-2-yn-1-yloxy)phenyl]methyl})amine hydrochloride

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Enamine	EN300-70843

Database	Data ID
PubChem	50988529

M. W.

211.68796

CAS

Similarity

N/A

ID: 271303

4-(3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanoic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Enamine	EN300-70844

Database	Data ID
PubChem	6624342

M. W.

235.23592

CAS

Similarity

N/A

ID: 271304

3-{[2-(aminomethyl)phenyl]methyl}-1,3-diazaspiro[4.5]decane-2,4-dione

$$$$ Data

M. F.

C16H21N3O2

Suppliers	Catalog Number
Enamine	EN300-70845

Database	Data ID
PubChem	20119133

M. W.

287.35684

CAS

Similarity

N/A

ID: 271305

ethyl 2-amino-2-methyloctanoate

$$$$ Data

M. F.

C11H23NO2

Suppliers	Catalog Number
Enamine	EN300-70848

Database	Data ID
PubChem	50987895

M. W.

201.30582

CAS

Similarity

N/A

ID: 271306

6-[3-(aminomethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine

$$$$ Data

M. F.

C11H19N5

Suppliers	Catalog Number
Enamine	EN300-70863

Database	Data ID
PubChem	54592576

M. W.

221.30206

CAS

Similarity

N/A

ID: 271307

6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

$$$$ Data

M. F.

C10H17N5

Suppliers	Catalog Number
Enamine	EN300-70867

Database	Data ID
PubChem	54592577

M. W.

207.27548

CAS

Similarity

N/A

ID: 271308

5H,6H,7H,8H-pyrido[3,4-d]pyrimidine

$$$$ Data

M. F.

C7H9N3

Suppliers	Catalog Number
Enamine	EN300-70869

Database	Data ID
PubChem	21983612

M. W.

135.16646

CAS

Similarity

N/A

ID: 271309

2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine

$$$$ Data

M. F.

C8H11N3

Suppliers	Catalog Number
Enamine	EN300-70870

Database	Data ID
PubChem	54592578

M. W.

149.19304

CAS

Similarity

N/A

ID: 271310

5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

$$$$ Data

M. F.

C7H10N4

Suppliers	Catalog Number
Enamine	EN300-70871

Database	Data ID
PubChem	54594615

M. W.

150.1811

CAS

Similarity

N/A

ID: 271311

N-methyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

$$$$ Data

M. F.

C8H12N4

Suppliers	Catalog Number
Enamine	EN300-70872

Database	Data ID
PubChem	54592579

M. W.

164.20768

CAS

Similarity

N/A

ID: 271312

N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-70873

Database	Data ID
PubChem	54592580

M. W.

178.23426

CAS

Similarity

N/A

ID: 271313

N-ethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-70874

Database	Data ID
PubChem	53613701

M. W.

178.23426

CAS

Similarity

N/A

ID: 271314

3-methoxy-5H,6H,7H,8H-pyrido[4,3-c]pyridazine

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Enamine	EN300-70875

Database	Data ID
PubChem	71758737

M. W.

165.19244

CAS

Similarity

N/A

ID: 271315

1-(pyridazin-3-yl)-1,4-diazepane

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-70885

Database	Data ID
PubChem	22053479

M. W.

178.23426

CAS

Similarity

N/A

ID: 271316

N-methyl-1-(pyridazin-3-yl)piperidin-3-amine

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-70889

Database	Data ID
PubChem	54592581

M. W.

192.26084

CAS

Similarity

N/A

ID: 271317

1-(6-methylpyridazin-3-yl)piperidin-3-amine

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-70890

Database	Data ID
PubChem	53532673

M. W.

192.26084

CAS

Similarity

N/A

ID: 271318

N-methyl-1-(6-methylpyridazin-3-yl)piperidin-3-amine

$$$$ Data

M. F.

C11H18N4

Suppliers	Catalog Number
Enamine	EN300-70891

Database	Data ID
PubChem	54592582

M. W.

206.28742

CAS

Similarity

N/A

ID: 271319

N-(piperidin-4-yl)pyridazin-3-amine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-70892

Database	Data ID
PubChem	54592583

M. W.

178.23426

CAS

Similarity

N/A

ID: 271320

6-methyl-N-(piperidin-4-yl)pyridazin-3-amine

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-70894

Database	Data ID
PubChem	54592584

M. W.

192.26084

CAS

Similarity

N/A

ID: 271321

[1-(pyridazin-3-yl)pyrrolidin-2-yl]methanamine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-70896

Database	Data ID
PubChem	54592585

M. W.

178.23426

CAS

Similarity

N/A

ID: 271322

methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-70897

Database	Data ID
PubChem	54592586

M. W.

192.26084

CAS

Similarity

N/A

ID: 271323

1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine

$$$$ Data

M. F.

C9H15N3S

Suppliers	Catalog Number
Enamine	EN300-70908

Database	Data ID
PubChem	52319808

M. W.

197.3005

CAS

Similarity

N/A

ID: 271324

2-methyl-1-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperazine

$$$$ Data

M. F.

C10H14N6

Suppliers	Catalog Number
Enamine	EN300-70916

Database	Data ID
PubChem	54592587

M. W.

218.25836

CAS

Similarity

N/A

ID: 271325

5-methyl-2-(piperazin-1-yl)-1,3-benzoxazole

$$$$ Data

M. F.

C12H15N3O

Suppliers	Catalog Number
Enamine	EN300-70921

Database	Data ID
PubChem	22558206

M. W.

217.267

CAS

Similarity

N/A

ID: 271326

1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperazine

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-70926

Database	Data ID
PubChem	54592588

M. W.

194.27672

CAS

Similarity

N/A

ID: 271327

2-methyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Enamine	EN300-70927

Database	Data ID
PubChem	54592589

M. W.

194.27672

CAS

Similarity

N/A

ID: 271328

1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
Enamine	EN300-70928

Database	Data ID
PubChem	54592590

M. W.

208.3033

CAS

Similarity

N/A

ID: 271329

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)piperazine

$$$$ Data

M. F.

C9H15N3S

Suppliers	Catalog Number
Enamine	EN300-70934

Database	Data ID
PubChem	54592591

M. W.

197.3005

CAS

Similarity

N/A

ID: 271330

1-[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperazine

$$$$ Data

M. F.

C10H19N5

Suppliers	Catalog Number
Enamine	EN300-70941

Database	Data ID
PubChem	54592592

M. W.

209.29136

CAS

Similarity

N/A

ID: 271331

1-phenyl-2-(piperazin-1-yl)ethan-1-ol

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Enamine	EN300-70946

Database	Data ID
PubChem	3924981

M. W.

206.28412

CAS

Similarity

N/A

ID: 271332

1-(2-methylpiperazin-1-yl)propan-2-ol

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Enamine	EN300-70947

Database	Data ID
PubChem	14598034

M. W.

158.24132

CAS

Similarity

N/A

ID: 271333

2-(2-methylpiperazin-1-yl)-1-phenylethan-1-ol

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Enamine	EN300-70948

Database	Data ID
PubChem	54592593

M. W.

220.3107

CAS

Similarity

N/A

ID: 271334

1-(2-ethylpiperazin-1-yl)propan-2-ol

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Enamine	EN300-70949

Database	Data ID
PubChem	17954154

M. W.

172.2679

CAS

Similarity

N/A

ID: 271335

1-(2-methoxyethyl)-2-methylpiperazine

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Enamine	EN300-70952

Database	Data ID
PubChem	54438391

M. W.

158.24132

CAS

Similarity

N/A

ID: 271336

1-(2-ethoxyethyl)-2-methylpiperazine

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Enamine	EN300-70953

Database	Data ID
PubChem	54592594

M. W.

172.2679

CAS

Similarity

N/A

ID: 271337

2-ethyl-1-(2-methoxyethyl)piperazine

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Enamine	EN300-70954

Database	Data ID
PubChem	54592595

M. W.

172.2679

CAS

Similarity

N/A

ID: 271338

1-(2-ethoxyethyl)-2-ethylpiperazine

$$$$ Data

M. F.

C10H22N2O

Suppliers	Catalog Number
Enamine	EN300-70955

Database	Data ID
PubChem	54592596

M. W.

186.29448

CAS

Similarity

N/A

ID: 271339

4-ethyl-2-(piperazin-1-ylmethyl)morpholine

$$$$ Data

M. F.

C11H23N3O

Suppliers	Catalog Number
Enamine	EN300-70965

Database	Data ID
PubChem	23079696

M. W.

213.31982

CAS

Similarity

N/A

ID: 271340

2-(piperazin-1-ylmethyl)-4-(propan-2-yl)morpholine

$$$$ Data

M. F.

C12H25N3O

Suppliers	Catalog Number
Enamine	EN300-70966

Database	Data ID
PubChem	54592597

M. W.

227.3464

CAS

Similarity

N/A

ID: 271341

1-(pyrimidin-4-yl)piperidin-3-amine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-70990

Database	Data ID
PubChem	54592598

M. W.

178.23426

CAS

Similarity

N/A

ID: 271342

1-(6-methylpyrimidin-4-yl)piperidin-3-amine

$$$$ Data

M. F.

C10H16N4

Suppliers	Catalog Number
Enamine	EN300-70992

Database	Data ID
PubChem	54592599

M. W.

192.26084

CAS

Similarity

N/A

ID: 271343

1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-amine

$$$$ Data

M. F.

C11H18N4

Suppliers	Catalog Number
Enamine	EN300-70994

Database	Data ID
PubChem	50987746

M. W.

206.28742

CAS

Similarity

N/A

ID: 271344

N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

$$$$ Data

M. F.

C10H18N4O

Suppliers	Catalog Number
Enamine	EN300-70998

Database	Data ID
PubChem	54592600

M. W.

210.27612

CAS

Similarity

N/A

ID: 271345

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

$$$$ Data

M. F.

C9H16N4O

Suppliers	Catalog Number
Enamine	EN300-70999

Database	Data ID
PubChem	54592601

M. W.

196.24954

CAS

Similarity

N/A

ID: 271346

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

$$$$ Data

M. F.

C11H18N4O

Suppliers	Catalog Number
Enamine	EN300-71000

Database	Data ID
PubChem	54592602

M. W.

222.28682

CAS

Similarity

N/A

ID: 271347

2-[4-(aminomethyl)piperidin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
ChemBridge	4003949
Enamine	EN300-71012
Bide Pharmatech	BD168277

Database	Data ID
PubChem	7330476

M. W.

158.24132

CAS

21168-72-9

Similarity

N/A

ID: 271348

1-[4-(aminomethyl)piperidin-1-yl]propan-2-ol

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Enamine	EN300-71013

Database	Data ID
PubChem	54592603

M. W.

172.2679

CAS

Similarity

N/A

ID: 271349

2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethan-1-ol

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Enamine	EN300-71014

Database	Data ID
PubChem	54592604

M. W.

234.33728

CAS

Similarity

N/A

ID: 271350

1-{4-[(methylamino)methyl]piperidin-1-yl}propan-2-ol

$$$$ Data

M. F.

C10H22N2O

Suppliers	Catalog Number
Enamine	EN300-71016

Database	Data ID
PubChem	54592605

M. W.

186.29448

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