1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine

C149H301N47O12 — CID 160933433

IUPAC1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\C)N(CC)CC#C.[H]/N=C(\C)N(CC)CC=C.[H]/N=C(\C)N(CC)CCC.[H]/N=C(\C)N(CC)CCCC.[H]/N=C(\C)N(CC)CCOC.[H]/N=C(\C)N1CCC(C(=O)O)C1.[H]/N=C(\C)N1CCC(C(=O)O)CC1.[H]/N=C(\C)N1CCC(C(N)=O)CC1.[H]/N=C(\C)N1CCC(CO)CC1.[H]/N=C(\C)N1CCC(O)C1.[H]/N=C(\C)N1CCC(O)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC(CO)C1.[H]/N=C(\C)N1CCCC(O)C1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\C)N1CCN(C(C)C)CC1.[H]/N=C(\C)N1CCN(C)CC1.[H]/N=C(\C)N1CCN(CC)CC1.[H]/N=C(\C)N1CCNCC1.[H]/N=C(\C)N1CCOCC1
InChIInChI=1S/C9H19N3.C8H15N3O.C8H17N3.C8H14N2O2.2C8H16N2O.C8H18N2.C7H15N3.C7H12N2O2.2C7H14N2O.C7H16N2O.C7H14N2.C7H16N2.C7H14N2.C7H12N2.C6H13N3.2C6H12N2O.C6H12N2.C5H10N2/c1-8(2)11-4-6-12(7-5-11)9(3)10;1-6(9)11-4-2-7(3-5-11)8(10)12;1-3-10-4-6-11(7-5-10)8(2)9;1-6(9)10-4-2-7(3-5-10)8(11)12;1-7(9)10-4-2-8(6-11)3-5-10;1-7(9)10-4-2-3-8(5-10)6-11;1-4-6-7-10(5-2)8(3)9;1-7(8)10-5-3-9(2)4-6-10;1-5(8)9-3-2-6(4-9)7(10)11;1-6(8)9-4-2-7(10)3-5-9;1-6(8)9-4-2-3-7(10)5-9;1-4-9(7(2)8)5-6-10-3;1-7(8)9-5-3-2-4-6-9;3*1-4-6-9(5-2)7(3)8;1-6(7)9-4-2-8-3-5-9;1-6(7)8-2-4-9-5-3-8;1-5(7)8-3-2-6(9)4-8;1-6(7)8-4-2-3-5-8;1-5(6)7-3-2-4-7/h8,10H,4-7H2,1-3H3;7,9H,2-5H2,1H3,(H2,10,12);9H,3-7H2,1-2H3;7,9H,2-5H2,1H3,(H,11,12);2*8-9,11H,2-6H2,1H3;9H,4-7H2,1-3H3;8H,3-6H2,1-2H3;6,8H,2-4H2,1H3,(H,10,11);2*7-8,10H,2-5H2,1H3;8H,4-6H2,1-3H3;8H,2-6H2,1H3;8H,4-6H2,1-3H3;4,8H,1,5-6H2,2-3H3;1,8H,5-6H2,2-3H3;7-8H,2-5H2,1H3;7H,2-5H2,1H3;6-7,9H,2-4H2,1H3;7H,2-5H2,1H3;6H,2-4H2,1H3/b10-9+;9-6+;9-8+;9-6+;2*9-7+;9-8+;8-7+;8-5+;2*8-6+;5*8-7+;2*7-6+;7-5+;7-6+;6-5+
InChIKeySTOIKAPMPGUFBE-CXUAHPEMSA-N
MW2943.36 g/mol
LogP16.16
Rot. Bonds23

About 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine

1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine (PubChem CID 160933433) has the molecular formula C149H301N47O12 and a molecular weight of 2943.36 g/mol. Its IUPAC name is 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine
PubChem CID160933433
Molecular FormulaC149H301N47O12
Molecular Weight2943.36 g/mol
Exact Mass2941.44
IUPAC Name1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\C)N(CC)CC#C.[H]/N=C(\C)N(CC)CC=C.[H]/N=C(\C)N(CC)CCC.[H]/N=C(\C)N(CC)CCCC.[H]/N=C(\C)N(CC)CCOC.[H]/N=C(\C)N1CCC(C(=O)O)C1.[H]/N=C(\C)N1CCC(C(=O)O)CC1.[H]/N=C(\C)N1CCC(C(N)=O)CC1.[H]/N=C(\C)N1CCC(CO)CC1.[H]/N=C(\C)N1CCC(O)C1.[H]/N=C(\C)N1CCC(O)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC(CO)C1.[H]/N=C(\C)N1CCCC(O)C1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\C)N1CCN(C(C)C)CC1.[H]/N=C(\C)N1CCN(C)CC1.[H]/N=C(\C)N1CCN(CC)CC1.[H]/N=C(\C)N1CCNCC1.[H]/N=C(\C)N1CCOCC1
InChIInChI=1S/C9H19N3.C8H15N3O.C8H17N3.C8H14N2O2.2C8H16N2O.C8H18N2.C7H15N3.C7H12N2O2.2C7H14N2O.C7H16N2O.C7H14N2.C7H16N2.C7H14N2.C7H12N2.C6H13N3.2C6H12N2O.C6H12N2.C5H10N2/c1-8(2)11-4-6-12(7-5-11)9(3)10;1-6(9)11-4-2-7(3-5-11)8(10)12;1-3-10-4-6-11(7-5-10)8(2)9;1-6(9)10-4-2-7(3-5-10)8(11)12;1-7(9)10-4-2-8(6-11)3-5-10;1-7(9)10-4-2-3-8(5-10)6-11;1-4-6-7-10(5-2)8(3)9;1-7(8)10-5-3-9(2)4-6-10;1-5(8)9-3-2-6(4-9)7(10)11;1-6(8)9-4-2-7(10)3-5-9;1-6(8)9-4-2-3-7(10)5-9;1-4-9(7(2)8)5-6-10-3;1-7(8)9-5-3-2-4-6-9;3*1-4-6-9(5-2)7(3)8;1-6(7)9-4-2-8-3-5-9;1-6(7)8-2-4-9-5-3-8;1-5(7)8-3-2-6(9)4-8;1-6(7)8-4-2-3-5-8;1-5(6)7-3-2-4-7/h8,10H,4-7H2,1-3H3;7,9H,2-5H2,1H3,(H2,10,12);9H,3-7H2,1-2H3;7,9H,2-5H2,1H3,(H,11,12);2*8-9,11H,2-6H2,1H3;9H,4-7H2,1-3H3;8H,3-6H2,1-2H3;6,8H,2-4H2,1H3,(H,10,11);2*7-8,10H,2-5H2,1H3;8H,4-6H2,1-3H3;8H,2-6H2,1H3;8H,4-6H2,1-3H3;4,8H,1,5-6H2,2-3H3;1,8H,5-6H2,2-3H3;7-8H,2-5H2,1H3;7H,2-5H2,1H3;6-7,9H,2-4H2,1H3;7H,2-5H2,1H3;6H,2-4H2,1H3/b10-9+;9-6+;9-8+;9-6+;2*9-7+;9-8+;8-7+;8-5+;2*8-6+;5*8-7+;2*7-6+;7-5+;7-6+;6-5+
InChIKeySTOIKAPMPGUFBE-CXUAHPEMSA-N
XLogP16.16
TPSA827.94 Ų
H-Bond Donors30
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002943.36
LogP ≤ 516.16
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine with MolForge

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Related Compounds

2,2-dimethylpropane;1,3-dimethylpyrrolidine;methoxyethane;1-(1-methoxyethenyl)-4-methylpiperazine;bis(methylcyclohexane);methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpiperidine-4-carboxylic acid;1-methylpiperidin-3-ol;1-methylpiperidin-4-ol;1-methyl-4-prop-1-en-2-ylpiperazine
CID 165061734
1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-2,5-dimethylpyrrolidine;1-tert-butyl-2-(methoxymethyl)pyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-2-methylpiperidine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-2-methylpyrrolidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)ethanol;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpiperidine-3-carboxamide;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;1-tert-butylpyrrolidine;1-tert-butylpyrrolidine-2-carboxamide;1-tert-butylpyrrolidine-2-carboxylic acid;1-tert-butylpyrrolidin-3-ol;(1-tert-butylpyrrolidin-2-yl)methanol
CID 160737708
1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethylpyrrolidine;1-(4-methoxypiperidin-1-yl)ethanimine;1-(3-methoxypyrrolidin-1-yl)ethanimine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine
CID 161436117
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63286603
2-[[2-[4-(4-acetylpiperazin-1-yl)-2-(hydroxymethyl)-5-(prop-2-enoylamino)anilino]-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[4-(4-cyclohexylpiperazin-1-yl)-2-(hydroxymethyl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]-2-(hydroxymethyl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[4-(4-ethylpiperazin-1-yl)-2-(hydroxymethyl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[2-(hydroxymethyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[2-(hydroxymethyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5-chloro-2-[2-(hydroxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 158124427
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55171533
1-butyl-4-[2-(2-methoxyethoxy)ethyl]piperazine;tert-butyl 4-[2-(2-methoxyethoxy)ethyl]piperazine-1-carboxylate;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;4-[2-(2-methoxyethoxy)ethyl]morpholine;1-[2-(2-methoxyethoxy)ethyl]piperazine;1-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 167590242
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
tert-butyl 2-tert-butylmorpholine-4-carboxylate;tert-butyl 3-tert-butylpiperidine-1-carboxylate;3-tert-butyl-1-cyclobutylsulfonylpiperidine;3-tert-butyl-1-cyclopropylsulfonylpiperidine;4-tert-butyl-1-ethylpiperidine;3-tert-butyl-1-ethylsulfonylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;2-tert-butylmorpholine;1-(2-tert-butylmorpholin-4-yl)ethanone;4-tert-butylpiperidine;1-(3-tert-butylpiperidin-1-yl)butan-1-one;1-(3-tert-butylpiperidin-1-yl)-3-(dimethylamino)propan-1-one;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(3-tert-butylpiperidin-1-yl)-2-methoxyethanone;1-(3-tert-butylpiperidin-1-yl)-3-methoxypropan-1-one;(3-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone;1-(3-tert-butylpiperidin-1-yl)pentan-1-one;4-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylsulfonylpiperidine;3-tert-butyl-1-propylsulfonylpiperidine
CID 167654554
N-prop-2-enyl-N-propylpiperidine-1-carboxamide
CID 116657075
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-1-one;1-(4,4-difluoropiperidin-1-yl)-2-methylpropan-1-one;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;1-[2-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one;1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;1-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one;2-methyl-1-(1,4-oxazepan-4-yl)propan-1-one;1-(2-methylpropanoyl)piperidine-4-carboxamide;2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 161372954

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine?
The IUPAC name of 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine (CID 160933433) is 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine is [H]/N=C(\C)N(CC)CC#C.[H]/N=C(\C)N(CC)CC=C.[H]/N=C(\C)N(CC)CCC.[H]/N=C(\C)N(CC)CCCC.[H]/N=C(\C)N(CC)CCOC.[H]/N=C(\C)N1CCC(C(=O)O)C1.[H]/N=C(\C)N1CCC(C(=O)O)CC1.[H]/N=C(\C)N1CCC(C(N)=O)CC1.[H]/N=C(\C)N1CCC(CO)CC1.[H]/N=C(\C)N1CCC(O)C1.[H]/N=C(\C)N1CCC(O)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC(CO)C1.[H]/N=C(\C)N1CCCC(O)C1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\C)N1CCN(C(C)C)CC1.[H]/N=C(\C)N1CCN(C)CC1.[H]/N=C(\C)N1CCN(CC)CC1.[H]/N=C(\C)N1CCNCC1.[H]/N=C(\C)N1CCOCC1.
What is the InChIKey of 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine?
The InChIKey is STOIKAPMPGUFBE-CXUAHPEMSA-N. The full InChI is InChI=1S/C9H19N3.C8H15N3O.C8H17N3.C8H14N2O2.2C8H16N2O.C8H18N2.C7H15N3.C7H12N2O2.2C7H14N2O.C7H16N2O.C7H14N2.C7H16N2.C7H14N2.C7H12N2.C6H13N3.2C6H12N2O.C6H12N2.C5H10N2/c1-8(2)11-4-6-12(7-5-11)9(3)10;1-6(9)11-4-2-7(3-5-11)8(10)12;1-3-10-4-6-11(7-5-10)8(2)9;1-6(9)10-4-2-7(3-5-10)8(11)12;1-7(9)10-4-2-8(6-11)3-5-10;1-7(9)10-4-2-3-8(5-10)6-11;1-4-6-7-10(5-2)8(3)9;1-7(8)10-5-3-9(2)4-6-10;1-5(8)9-3-2-6(4-9)7(10)11;1-6(8)9-4-2-7(10)3-5-9;1-6(8)9-4-2-3-7(10)5-9;1-4-9(7(2)8)5-6-10-3;1-7(8)9-5-3-2-4-6-9;3*1-4-6-9(5-2)7(3)8;1-6(7)9-4-2-8-3-5-9;1-6(7)8-2-4-9-5-3-8;1-5(7)8-3-2-6(9)4-8;1-6(7)8-4-2-3-5-8;1-5(6)7-3-2-4-7/h8,10H,4-7H2,1-3H3;7,9H,2-5H2,1H3,(H2,10,12);9H,3-7H2,1-2H3;7,9H,2-5H2,1H3,(H,11,12);2*8-9,11H,2-6H2,1H3;9H,4-7H2,1-3H3;8H,3-6H2,1-2H3;6,8H,2-4H2,1H3,(H,10,11);2*7-8,10H,2-5H2,1H3;8H,4-6H2,1-3H3;8H,2-6H2,1H3;8H,4-6H2,1-3H3;4,8H,1,5-6H2,2-3H3;1,8H,5-6H2,2-3H3;7-8H,2-5H2,1H3;7H,2-5H2,1H3;6-7,9H,2-4H2,1H3;7H,2-5H2,1H3;6H,2-4H2,1H3/b10-9+;9-6+;9-8+;9-6+;2*9-7+;9-8+;8-7+;8-5+;2*8-6+;5*8-7+;2*7-6+;7-5+;7-6+;6-5+.
What are the key properties of 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine?
1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine has a molecular weight of 2943.36 g/mol, XLogP of 16.16, 23 rotatable bonds, 30 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)ethanimine;N-butyl-N-ethylethanimidamide;1-ethanimidoylpiperidine-4-carboxamide;1-ethanimidoylpiperidine-4-carboxylic acid;1-ethanimidoylpiperidin-3-ol;1-ethanimidoylpiperidin-4-ol;(1-ethanimidoylpiperidin-3-yl)methanol;(1-ethanimidoylpiperidin-4-yl)methanol;1-ethanimidoylpyrrolidine-3-carboxylic acid;1-ethanimidoylpyrrolidin-3-ol;N-ethyl-N-(2-methoxyethyl)ethanimidamide;1-(4-ethylpiperazin-1-yl)ethanimine;N-ethyl-N-prop-2-enylethanimidamide;N-ethyl-N-propylethanimidamide;N-ethyl-N-prop-2-ynylethanimidamide;1-(4-methylpiperazin-1-yl)ethanimine;1-morpholin-4-ylethanimine;1-piperazin-1-ylethanimine;1-piperidin-1-ylethanimine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 160933433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).