1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one

C184H288N40O17S3 — CID 159647239

IUPAC1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one
SMILESC.CNC1CCCC(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)N(Cc2nncs2)C1=O.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccccc2)C1=O.CNC1CCCC(C)N(c2ccccn2)C1=O.CNC1CCCC(C)N(c2cccnc2)C1=O.CNC1CCCC(C)N(c2cccnn2)C1=O.CNC1CCCC(C)N(c2ccncc2)C1=O
InChIInChI=1S/2C16H26N2O.C14H20N2O.C13H21N3O2.C13H21N3OS.3C13H19N3O.C13H20N2O2.C13H20N2OS.C12H18N4O.C12H19N3O.C11H18N4O2.C11H18N4OS.CH4/c1-12-7-5-9-14(17-4)15(19)18(12)11-13-8-6-10-16(13,2)3;1-12-6-5-7-14(17-4)15(19)18(12)11-13-8-9-16(2,3)10-13;1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;2*1-9-5-4-6-12(14-3)13(17)16(9)8-11-7-15-10(2)18-11;1-10-5-3-7-12(14-2)13(17)16(10)11-6-4-8-15-9-11;1-10-6-5-7-11(14-2)13(17)16(10)12-8-3-4-9-15-12;1-10-4-3-5-12(14-2)13(17)16(10)11-6-8-15-9-7-11;2*1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-9-5-3-6-10(13-2)12(17)16(9)11-7-4-8-14-15-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-14-13-7-17-10;/h6,8,10,12,14,17H,5,7,9,11H2,1-4H3;8-10,12,14,17H,5-7,11H2,1-4H3;3-5,8-9,11,13,15H,6-7,10H2,1-2H3;2*7,9,12,14H,4-6,8H2,1-3H3;4,6,8-10,12,14H,3,5,7H2,1-2H3;3-4,8-11,14H,5-7H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;2*6-7,9-10,12,14H,3-5,8H2,1-2H3;4,7-10,13H,3,5-6H2,1-2H3;4,7-10,13-14H,3,5-6H2,1-2H3;2*7-9,12H,3-6H2,1-2H3;1H4
InChIKeyMRCOFQJUHHDVHI-UHFFFAOYSA-N
MW3428.79 g/mol
LogP24.02
Rot. Bonds36

About 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one

1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one (PubChem CID 159647239) has the molecular formula C184H288N40O17S3 and a molecular weight of 3428.79 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one
PubChem CID159647239
Molecular FormulaC184H288N40O17S3
Molecular Weight3428.79 g/mol
Exact Mass3426.21
IUPAC Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one
SMILESC.CNC1CCCC(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)N(Cc2nncs2)C1=O.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccccc2)C1=O.CNC1CCCC(C)N(c2ccccn2)C1=O.CNC1CCCC(C)N(c2cccnc2)C1=O.CNC1CCCC(C)N(c2cccnn2)C1=O.CNC1CCCC(C)N(c2ccncc2)C1=O
InChIInChI=1S/2C16H26N2O.C14H20N2O.C13H21N3O2.C13H21N3OS.3C13H19N3O.C13H20N2O2.C13H20N2OS.C12H18N4O.C12H19N3O.C11H18N4O2.C11H18N4OS.CH4/c1-12-7-5-9-14(17-4)15(19)18(12)11-13-8-6-10-16(13,2)3;1-12-6-5-7-14(17-4)15(19)18(12)11-13-8-9-16(2,3)10-13;1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;2*1-9-5-4-6-12(14-3)13(17)16(9)8-11-7-15-10(2)18-11;1-10-5-3-7-12(14-2)13(17)16(10)11-6-4-8-15-9-11;1-10-6-5-7-11(14-2)13(17)16(10)12-8-3-4-9-15-12;1-10-4-3-5-12(14-2)13(17)16(10)11-6-8-15-9-7-11;2*1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-9-5-3-6-10(13-2)12(17)16(9)11-7-4-8-14-15-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-14-13-7-17-10;/h6,8,10,12,14,17H,5,7,9,11H2,1-4H3;8-10,12,14,17H,5-7,11H2,1-4H3;3-5,8-9,11,13,15H,6-7,10H2,1-2H3;2*7,9,12,14H,4-6,8H2,1-3H3;4,6,8-10,12,14H,3,5,7H2,1-2H3;3-4,8-11,14H,5-7H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;2*6-7,9-10,12,14H,3-5,8H2,1-2H3;4,7-10,13H,3,5-6H2,1-2H3;4,7-10,13-14H,3,5-6H2,1-2H3;2*7-9,12H,3-6H2,1-2H3;1H4
InChIKeyMRCOFQJUHHDVHI-UHFFFAOYSA-N
XLogP24.02
TPSA649.76 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003428.79
LogP ≤ 524.02
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one?
The IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one (CID 159647239) is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one?
The canonical SMILES for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one is C.CNC1CCCC(C)N(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCC(C)N(CC2=CC=CC2(C)C)C1=O.CNC1CCCC(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)o2)C1=O.CNC1CCCC(C)N(Cc2cnc(C)s2)C1=O.CNC1CCCC(C)N(Cc2nnco2)C1=O.CNC1CCCC(C)N(Cc2nncs2)C1=O.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccccc2)C1=O.CNC1CCCC(C)N(c2ccccn2)C1=O.CNC1CCCC(C)N(c2cccnc2)C1=O.CNC1CCCC(C)N(c2cccnn2)C1=O.CNC1CCCC(C)N(c2ccncc2)C1=O.
What is the InChIKey of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one?
The InChIKey is MRCOFQJUHHDVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26N2O.C14H20N2O.C13H21N3O2.C13H21N3OS.3C13H19N3O.C13H20N2O2.C13H20N2OS.C12H18N4O.C12H19N3O.C11H18N4O2.C11H18N4OS.CH4/c1-12-7-5-9-14(17-4)15(19)18(12)11-13-8-6-10-16(13,2)3;1-12-6-5-7-14(17-4)15(19)18(12)11-13-8-9-16(2,3)10-13;1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;2*1-9-5-4-6-12(14-3)13(17)16(9)8-11-7-15-10(2)18-11;1-10-5-3-7-12(14-2)13(17)16(10)11-6-4-8-15-9-11;1-10-6-5-7-11(14-2)13(17)16(10)12-8-3-4-9-15-12;1-10-4-3-5-12(14-2)13(17)16(10)11-6-8-15-9-7-11;2*1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-9-5-3-6-10(13-2)12(17)16(9)11-7-4-8-14-15-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;2*1-8-4-3-5-9(12-2)11(16)15(8)6-10-14-13-7-17-10;/h6,8,10,12,14,17H,5,7,9,11H2,1-4H3;8-10,12,14,17H,5-7,11H2,1-4H3;3-5,8-9,11,13,15H,6-7,10H2,1-2H3;2*7,9,12,14H,4-6,8H2,1-3H3;4,6,8-10,12,14H,3,5,7H2,1-2H3;3-4,8-11,14H,5-7H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;2*6-7,9-10,12,14H,3-5,8H2,1-2H3;4,7-10,13H,3,5-6H2,1-2H3;4,7-10,13-14H,3,5-6H2,1-2H3;2*7-9,12H,3-6H2,1-2H3;1H4.
What are the key properties of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one?
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one has a molecular weight of 3428.79 g/mol, XLogP of 24.02, 36 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;methane;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one is sourced from PubChem (CID 159647239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).