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

C144H224N32O11S — CID 157222159

About 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

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 (PubChem CID 157222159) has the molecular formula C144H224N32O11S and a molecular weight of 2611.66 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157222159
• Molecular Formula: C144H224N32O11S
• Molecular Weight: 2611.66 g/mol
• Exact Mass: 2609.77
• IUPAC Name: 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
• SMILES: CNC1CC(C)(C)CCN(Cc2ccccc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnc2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccoc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccsc2)C1=O.CNC1CC(C)(C)CCN(Cc2cnccn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncncn2)C1=O
• InChI: InChI=1S/C16H24N2O.3C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O/c1-16(2)9-10-18(15(19)14(11-16)17-3)12-13-7-5-4-6-8-13;1-15(2)6-9-18(14(19)13(10-15)16-3)11-12-4-7-17-8-5-12;1-15(2)6-8-18(14(19)13(9-15)16-3)11-12-5-4-7-17-10-12;1-15(2)7-9-18(14(19)13(10-15)16-3)11-12-6-4-5-8-17-12;1-14(2)4-7-18(13(19)12(8-14)15-3)10-11-9-16-5-6-17-11;1-14(2)5-7-18(13(19)12(8-14)15-3)9-11-4-6-16-10-17-11;1-14(2)6-8-18(13(19)12(9-14)15-3)10-11-5-4-7-16-17-11;2*1-14(2)5-6-16(9-11-4-7-18-10-11)13(17)12(8-14)15-3;1-13(2)4-5-18(12(19)10(6-13)14-3)7-11-16-8-15-9-17-11/h4-8,14,17H,9-12H2,1-3H3;4-5,7-8,13,16H,6,9-11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;4-6,8,13,16H,7,9-11H2,1-3H3;5-6,9,12,15H,4,7-8,10H2,1-3H3;4,6,10,12,15H,5,7-9H2,1-3H3;4-5,7,12,15H,6,8-10H2,1-3H3;2*4,7,10,12,15H,5-6,8-9H2,1-3H3;8-10,14H,4-7H2,1-3H3
• InChIKey: ATCSRKLOQIBLKW-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 491.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2611.66
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNC1CC(C)(C)CCN(Cc2ccccc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnc2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccoc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccsc2)C1=O.CNC1CC(C)(C)CCN(Cc2cnccn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncncn2)C1=O.

What is the InChIKey of 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?

The InChIKey is ATCSRKLOQIBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.3C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O/c1-16(2)9-10-18(15(19)14(11-16)17-3)12-13-7-5-4-6-8-13;1-15(2)6-9-18(14(19)13(10-15)16-3)11-12-4-7-17-8-5-12;1-15(2)6-8-18(14(19)13(9-15)16-3)11-12-5-4-7-17-10-12;1-15(2)7-9-18(14(19)13(10-15)16-3)11-12-6-4-5-8-17-12;1-14(2)4-7-18(13(19)12(8-14)15-3)10-11-9-16-5-6-17-11;1-14(2)5-7-18(13(19)12(8-14)15-3)9-11-4-6-16-10-17-11;1-14(2)6-8-18(13(19)12(9-14)15-3)10-11-5-4-7-16-17-11;2*1-14(2)5-6-16(9-11-4-7-18-10-11)13(17)12(8-14)15-3;1-13(2)4-5-18(12(19)10(6-13)14-3)7-11-16-8-15-9-17-11/h4-8,14,17H,9-12H2,1-3H3;4-5,7-8,13,16H,6,9-11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;4-6,8,13,16H,7,9-11H2,1-3H3;5-6,9,12,15H,4,7-8,10H2,1-3H3;4,6,10,12,15H,5,7-9H2,1-3H3;4-5,7,12,15H,6,8-10H2,1-3H3;2*4,7,10,12,15H,5-6,8-9H2,1-3H3;8-10,14H,4-7H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 2611.66 g/mol, XLogP of 16.63, 30 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157222159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).