1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one

C16H28N2O — CID 20589743

IUPAC1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(CC2CCC3CC32)C1=O
InChIInChI=1S/C16H28N2O/c1-16(2)6-7-18(15(19)14(9-16)17-3)10-12-5-4-11-8-13(11)12/h11-14,17H,4-10H2,1-3H3
InChIKeyQQVDPKSXFIBGOI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one

1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 20589743) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID20589743
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(CC2CCC3CC32)C1=O
InChIInChI=1S/C16H28N2O/c1-16(2)6-7-18(15(19)14(9-16)17-3)10-12-5-4-11-8-13(11)12/h11-14,17H,4-10H2,1-3H3
InChIKeyQQVDPKSXFIBGOI-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 20589743) is 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CNC1CC(C)(C)CCN(CC2CCC3CC32)C1=O.
What is the InChIKey of 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is QQVDPKSXFIBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2)6-7-18(15(19)14(9-16)17-3)10-12-5-4-11-8-13(11)12/h11-14,17H,4-10H2,1-3H3.
What are the key properties of 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[3.1.0]hexanylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 20589743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).