1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one

C144H224N32O11S — CID 157158870

IUPAC1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(Cc2ccccc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccncc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncncn2)C1=O
InChIInChI=1S/C16H24N2O.3C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O/c1-16(2)11-7-10-14(17-3)15(19)18(16)12-13-8-5-4-6-9-13;1-15(2)8-4-7-13(16-3)14(19)18(15)11-12-6-5-9-17-10-12;1-15(2)8-4-5-13(16-3)14(19)18(15)11-12-6-9-17-10-7-12;1-15(2)9-6-8-13(16-3)14(19)18(15)11-12-7-4-5-10-17-12;1-14(2)8-4-7-12(15-3)13(19)18(14)10-11-6-5-9-16-17-11;1-14(2)7-4-5-12(15-3)13(19)18(14)9-11-6-8-16-10-17-11;1-14(2)6-4-5-12(15-3)13(19)18(14)10-11-9-16-7-8-17-11;2*1-14(2)7-4-5-12(15-3)13(17)16(14)9-11-6-8-18-10-11;1-13(2)6-4-5-10(14-3)12(19)18(13)7-11-16-8-15-9-17-11/h4-6,8-9,14,17H,7,10-12H2,1-3H3;5-6,9-10,13,16H,4,7-8,11H2,1-3H3;6-7,9-10,13,16H,4-5,8,11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;5-6,9,12,15H,4,7-8,10H2,1-3H3;6,8,10,12,15H,4-5,7,9H2,1-3H3;7-9,12,15H,4-6,10H2,1-3H3;2*6,8,10,12,15H,4-5,7,9H2,1-3H3;8-10,14H,4-7H2,1-3H3
InChIKeyAMDDEALEHVDUFO-UHFFFAOYSA-N
MW2611.66 g/mol
LogP18.05
Rot. Bonds30

About 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one

1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 157158870) has the molecular formula C144H224N32O11S and a molecular weight of 2611.66 g/mol. Its IUPAC name is 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
PubChem CID157158870
Molecular FormulaC144H224N32O11S
Molecular Weight2611.66 g/mol
Exact Mass2609.77
IUPAC Name1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(Cc2ccccc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccncc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncncn2)C1=O
InChIInChI=1S/C16H24N2O.3C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O/c1-16(2)11-7-10-14(17-3)15(19)18(16)12-13-8-5-4-6-9-13;1-15(2)8-4-7-13(16-3)14(19)18(15)11-12-6-5-9-17-10-12;1-15(2)8-4-5-13(16-3)14(19)18(15)11-12-6-9-17-10-7-12;1-15(2)9-6-8-13(16-3)14(19)18(15)11-12-7-4-5-10-17-12;1-14(2)8-4-7-12(15-3)13(19)18(14)10-11-6-5-9-16-17-11;1-14(2)7-4-5-12(15-3)13(19)18(14)9-11-6-8-16-10-17-11;1-14(2)6-4-5-12(15-3)13(19)18(14)10-11-9-16-7-8-17-11;2*1-14(2)7-4-5-12(15-3)13(17)16(14)9-11-6-8-18-10-11;1-13(2)6-4-5-10(14-3)12(19)18(13)7-11-16-8-15-9-17-11/h4-6,8-9,14,17H,7,10-12H2,1-3H3;5-6,9-10,13,16H,4,7-8,11H2,1-3H3;6-7,9-10,13,16H,4-5,8,11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;5-6,9,12,15H,4,7-8,10H2,1-3H3;6,8,10,12,15H,4-5,7,9H2,1-3H3;7-9,12,15H,4-6,10H2,1-3H3;2*6,8,10,12,15H,4-5,7,9H2,1-3H3;8-10,14H,4-7H2,1-3H3
InChIKeyAMDDEALEHVDUFO-UHFFFAOYSA-N
XLogP18.05
TPSA491.22 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.66
LogP ≤ 518.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

US10100058, Example 350
CID 134540107
N-[2-(diethylamino)propyl]-2-(2-pyrazin-2-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540108
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
CID 157184171
CID 157184171
1-Benzyl-5,5-dimethyl-3-(methylamino)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 157222159
1-benzyl-4-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-4-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157428123
1-benzyl-5-methyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157458688
CID 157461894
CID 157461894
1-(furan-3-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(1H-imidazol-2-ylmethyl)-7-methyl-3-(methylamino)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one);7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 157566716
1-benzyl-5,5-dimethyl-3-(methylamino)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 157651314
4-Benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-ylmethyl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyrimidin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(thiophen-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one
CID 157656226

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 157158870) is 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)(C)N(Cc2ccccc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccncc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)(C)N(Cc2ccoc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccsc2)C1=O.CNC1CCCC(C)(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)(C)N(Cc2ncncn2)C1=O.
What is the InChIKey of 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is AMDDEALEHVDUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.3C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O/c1-16(2)11-7-10-14(17-3)15(19)18(16)12-13-8-5-4-6-9-13;1-15(2)8-4-7-13(16-3)14(19)18(15)11-12-6-5-9-17-10-12;1-15(2)8-4-5-13(16-3)14(19)18(15)11-12-6-9-17-10-7-12;1-15(2)9-6-8-13(16-3)14(19)18(15)11-12-7-4-5-10-17-12;1-14(2)8-4-7-12(15-3)13(19)18(14)10-11-6-5-9-16-17-11;1-14(2)7-4-5-12(15-3)13(19)18(14)9-11-6-8-16-10-17-11;1-14(2)6-4-5-12(15-3)13(19)18(14)10-11-9-16-7-8-17-11;2*1-14(2)7-4-5-12(15-3)13(17)16(14)9-11-6-8-18-10-11;1-13(2)6-4-5-10(14-3)12(19)18(13)7-11-16-8-15-9-17-11/h4-6,8-9,14,17H,7,10-12H2,1-3H3;5-6,9-10,13,16H,4,7-8,11H2,1-3H3;6-7,9-10,13,16H,4-5,8,11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;5-6,9,12,15H,4,7-8,10H2,1-3H3;6,8,10,12,15H,4-5,7,9H2,1-3H3;7-9,12,15H,4-6,10H2,1-3H3;2*6,8,10,12,15H,4-5,7,9H2,1-3H3;8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 2611.66 g/mol, XLogP of 18.05, 30 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7,7-dimethyl-3-(methylamino)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157158870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).