N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide

C128H223N19O9S — CID 158842732

IUPACN-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CC1CCOCC1.CC(C)N(C)CC1CCOCC1.CC(C)N1C2CCC1CC2.CC(C)N1CC2(COC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCOc2ccccc2C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCc2ccccc2C1.CC(C)N1CCn2ccnc2C1.CC(C)N1CCn2nccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ncccc2C1=O.CC(C)NCC1CCOCC1
InChIInChI=1S/C12H17NO.C12H17N.C10H12N2O.C10H14N2.C10H21NO.2C9H15N3.C9H19NO.C9H17N.C9H18O.C8H15NO.C7H15NO2S.C7H13NO.C7H15N/c1-10(2)13-7-8-14-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-9(2)11(3)8-10-4-6-12-7-5-10;1-8(2)12-6-5-11-4-3-10-9(11)7-12;1-8(2)11-5-6-12-9(7-11)3-4-10-12;1-8(2)10-7-9-3-5-11-6-4-9;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-3-8(4-9)5-10-6-8;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8/h3-6,10H,7-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-5,7H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;9-10H,4-8H2,1-3H3;2*3-4,8H,5-7H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIYLIKZPGKWOEIQ-UHFFFAOYSA-N
MW2204.38 g/mol
LogP21.21
Rot. Bonds19

About N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide

N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 158842732) has the molecular formula C128H223N19O9S and a molecular weight of 2204.38 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
PubChem CID158842732
Molecular FormulaC128H223N19O9S
Molecular Weight2204.38 g/mol
Exact Mass2202.73
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide
SMILESCC(C)CC1CCOCC1.CC(C)N(C)CC1CCOCC1.CC(C)N1C2CCC1CC2.CC(C)N1CC2(COC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCOc2ccccc2C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCc2ccccc2C1.CC(C)N1CCn2ccnc2C1.CC(C)N1CCn2nccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ncccc2C1=O.CC(C)NCC1CCOCC1
InChIInChI=1S/C12H17NO.C12H17N.C10H12N2O.C10H14N2.C10H21NO.2C9H15N3.C9H19NO.C9H17N.C9H18O.C8H15NO.C7H15NO2S.C7H13NO.C7H15N/c1-10(2)13-7-8-14-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-9(2)11(3)8-10-4-6-12-7-5-10;1-8(2)12-6-5-11-4-3-10-9(11)7-12;1-8(2)11-5-6-12-9(7-11)3-4-10-12;1-8(2)10-7-9-3-5-11-6-4-9;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-3-8(4-9)5-10-6-8;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8/h3-6,10H,7-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-5,7H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;9-10H,4-8H2,1-3H3;2*3-4,8H,5-7H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIYLIKZPGKWOEIQ-UHFFFAOYSA-N
XLogP21.21
TPSA226.76 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.38
LogP ≤ 521.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-phenyl-4-pyridinyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 157091349
4-[7-[[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1,5-dimethylpyrazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157709655
4-[[4-[(4-tert-butylimidazol-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(1,5-dimethylpyrazol-3-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3H-isoindol-1-one;2-[(3S)-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3H-isoindol-1-one
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[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(2-methylquinolin-4-yl)methanone;[(2R)-2-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;[(3S)-3-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 158430123
CID 159558815
CID 159558815
2-(4-acetylimidazol-1-yl)-N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyrimidine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylimidazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
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CID 160154011
CID 160154011
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-imidazol-1-ylpyrimidine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[4-(methylcarbamoyl)imidazol-1-yl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-methylidenepyrrolidin-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-methylpyridine-4-carboxamide
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N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(1-methylimidazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[(2-propylpyrrol-1-yl)methyl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(pyrrol-1-ylmethyl)pyridine-4-carboxamide
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N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methoxymethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(1-methylimidazol-2-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-[(2-propylpyrrol-1-yl)methyl]pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(pyrrol-1-ylmethyl)pyridine-4-carboxamide
CID 160916825
N-[6-[1-[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[1-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[1-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[1-(6-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 161026942
N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyridine-4-carboxamide;bis(N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indazol-1-ylpyridine-4-carboxamide);N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-indol-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]pyrazine-2-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2lambda6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrol-1-ylpyridine-4-carboxamide
CID 161448726

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide (CID 158842732) is N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide is CC(C)CC1CCOCC1.CC(C)N(C)CC1CCOCC1.CC(C)N1C2CCC1CC2.CC(C)N1CC2(COC2)C1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.CC(C)N1CCOc2ccccc2C1.CC(C)N1CCS(=O)(=O)CC1.CC(C)N1CCc2ccccc2C1.CC(C)N1CCn2ccnc2C1.CC(C)N1CCn2nccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ncccc2C1=O.CC(C)NCC1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is IYLIKZPGKWOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H17N.C10H12N2O.C10H14N2.C10H21NO.2C9H15N3.C9H19NO.C9H17N.C9H18O.C8H15NO.C7H15NO2S.C7H13NO.C7H15N/c1-10(2)13-7-8-14-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-7(2)12-6-9-8(10(12)13)4-3-5-11-9;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-9(2)11(3)8-10-4-6-12-7-5-10;1-8(2)12-6-5-11-4-3-10-9(11)7-12;1-8(2)11-5-6-12-9(7-11)3-4-10-12;1-8(2)10-7-9-3-5-11-6-4-9;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)7-9-3-5-10-6-4-9;1-7(2)9-3-8(4-9)5-10-6-8;1-7(2)8-3-5-11(9,10)6-4-8;1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8/h3-6,10H,7-9H2,1-2H3;3-6,10H,7-9H2,1-2H3;3-5,7H,6H2,1-2H3;3-5,8H,6-7H2,1-2H3;9-10H,4-8H2,1-3H3;2*3-4,8H,5-7H2,1-2H3;8-10H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8-9H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide?
N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 2204.38 g/mol, XLogP of 21.21, 19 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;4-(2-methylpropyl)oxane;N-(oxan-4-ylmethyl)propan-2-amine;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;4-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;4-propan-2-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 158842732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).