1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one

C193H352N24O13S — CID 161030518

IUPAC1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
SMILESCNC1CCC(C)(C)CN(C23CCC(CC2)C3)C1=O.CNC1CCC(C)(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CC2)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCC(C3)C2)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCO2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCS2)C1=O
InChIInChI=1S/2C18H32N2O.2C17H30N2O.C17H32N2O.C16H30N2O2.C16H30N2OS.C16H28N2O.C16H30N2O.C15H28N2O.C14H26N2O.C13H24N2O/c1-18(2)7-6-16(19-3)17(21)20(12-18)11-15-9-13-4-5-14(8-13)10-15;1-18(2)8-7-16(19-3)17(21)20(12-18)11-15-10-13-5-4-6-14(15)9-13;1-17(2)7-6-15(18-3)16(20)19(11-17)10-14-9-12-4-5-13(14)8-12;1-17(2)8-7-14(18-3)16(20)19(11-17)15-10-12-5-4-6-13(15)9-12;1-17(2)11-10-15(18-3)16(20)19(13-17)12-14-8-6-4-5-7-9-14;2*1-16(2)9-8-14(17-3)15(19)18(12-16)11-13-7-5-4-6-10-20-13;1-15(2)7-6-13(17-3)14(19)18(11-15)16-8-4-12(10-16)5-9-16;1-16(2)10-9-14(17-3)15(19)18(12-16)11-13-7-5-4-6-8-13;1-15(2)9-8-13(16-3)14(18)17(11-15)10-12-6-4-5-7-12;1-14(2)8-7-12(15-3)13(17)16(10-14)9-11-5-4-6-11;1-13(2)7-6-11(14-3)12(16)15(9-13)8-10-4-5-10/h2*13-16,19H,4-12H2,1-3H3;2*12-15,18H,4-11H2,1-3H3;14-15,18H,4-13H2,1-3H3;2*13-14,17H,4-12H2,1-3H3;12-13,17H,4-11H2,1-3H3;13-14,17H,4-12H2,1-3H3;12-13,16H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;10-11,14H,4-9H2,1-3H3
InChIKeyTZOBGZNGOMXISV-UHFFFAOYSA-N
MW3249.16 g/mol
LogP31.26
Rot. Bonds34

About 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one

1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one (PubChem CID 161030518) has the molecular formula C193H352N24O13S and a molecular weight of 3249.16 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
PubChem CID161030518
Molecular FormulaC193H352N24O13S
Molecular Weight3249.16 g/mol
Exact Mass3246.73
IUPAC Name1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
SMILESCNC1CCC(C)(C)CN(C23CCC(CC2)C3)C1=O.CNC1CCC(C)(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CC2)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCC(C3)C2)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCO2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCS2)C1=O
InChIInChI=1S/2C18H32N2O.2C17H30N2O.C17H32N2O.C16H30N2O2.C16H30N2OS.C16H28N2O.C16H30N2O.C15H28N2O.C14H26N2O.C13H24N2O/c1-18(2)7-6-16(19-3)17(21)20(12-18)11-15-9-13-4-5-14(8-13)10-15;1-18(2)8-7-16(19-3)17(21)20(12-18)11-15-10-13-5-4-6-14(15)9-13;1-17(2)7-6-15(18-3)16(20)19(11-17)10-14-9-12-4-5-13(14)8-12;1-17(2)8-7-14(18-3)16(20)19(11-17)15-10-12-5-4-6-13(15)9-12;1-17(2)11-10-15(18-3)16(20)19(13-17)12-14-8-6-4-5-7-9-14;2*1-16(2)9-8-14(17-3)15(19)18(12-16)11-13-7-5-4-6-10-20-13;1-15(2)7-6-13(17-3)14(19)18(11-15)16-8-4-12(10-16)5-9-16;1-16(2)10-9-14(17-3)15(19)18(12-16)11-13-7-5-4-6-8-13;1-15(2)9-8-13(16-3)14(18)17(11-15)10-12-6-4-5-7-12;1-14(2)8-7-12(15-3)13(17)16(10-14)9-11-5-4-6-11;1-13(2)7-6-11(14-3)12(16)15(9-13)8-10-4-5-10/h2*13-16,19H,4-12H2,1-3H3;2*12-15,18H,4-11H2,1-3H3;14-15,18H,4-13H2,1-3H3;2*13-14,17H,4-12H2,1-3H3;12-13,17H,4-11H2,1-3H3;13-14,17H,4-12H2,1-3H3;12-13,16H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;10-11,14H,4-9H2,1-3H3
InChIKeyTZOBGZNGOMXISV-UHFFFAOYSA-N
XLogP31.26
TPSA397.31 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003249.16
LogP ≤ 531.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one (CID 161030518) is 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one is CNC1CCC(C)(C)CN(C23CCC(CC2)C3)C1=O.CNC1CCC(C)(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CC2)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCC(C3)C2)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CC3CCCC2C3)C1=O.CNC1CCC(C)(C)CN(CC2CCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCC2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCO2)C1=O.CNC1CCC(C)(C)CN(CC2CCCCCS2)C1=O.
What is the InChIKey of 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The InChIKey is TZOBGZNGOMXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H32N2O.2C17H30N2O.C17H32N2O.C16H30N2O2.C16H30N2OS.C16H28N2O.C16H30N2O.C15H28N2O.C14H26N2O.C13H24N2O/c1-18(2)7-6-16(19-3)17(21)20(12-18)11-15-9-13-4-5-14(8-13)10-15;1-18(2)8-7-16(19-3)17(21)20(12-18)11-15-10-13-5-4-6-14(15)9-13;1-17(2)7-6-15(18-3)16(20)19(11-17)10-14-9-12-4-5-13(14)8-12;1-17(2)8-7-14(18-3)16(20)19(11-17)15-10-12-5-4-6-13(15)9-12;1-17(2)11-10-15(18-3)16(20)19(13-17)12-14-8-6-4-5-7-9-14;2*1-16(2)9-8-14(17-3)15(19)18(12-16)11-13-7-5-4-6-10-20-13;1-15(2)7-6-13(17-3)14(19)18(11-15)16-8-4-12(10-16)5-9-16;1-16(2)10-9-14(17-3)15(19)18(12-16)11-13-7-5-4-6-8-13;1-15(2)9-8-13(16-3)14(18)17(11-15)10-12-6-4-5-7-12;1-14(2)8-7-12(15-3)13(17)16(10-14)9-11-5-4-6-11;1-13(2)7-6-11(14-3)12(16)15(9-13)8-10-4-5-10/h2*13-16,19H,4-12H2,1-3H3;2*12-15,18H,4-11H2,1-3H3;14-15,18H,4-13H2,1-3H3;2*13-14,17H,4-12H2,1-3H3;12-13,17H,4-11H2,1-3H3;13-14,17H,4-12H2,1-3H3;12-13,16H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one has a molecular weight of 3249.16 g/mol, XLogP of 31.26, 34 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 161030518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).