1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one

C16H28N2O — CID 22984717

IUPAC1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2CC3CCC(C3)C2)CCCC1C
InChIInChI=1S/C16H28N2O/c1-11-4-3-7-18(16(19)15(11)17-2)14-9-12-5-6-13(8-12)10-14/h11-15,17H,3-10H2,1-2H3
InChIKeyCMZJVQFJGVSAGR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one

1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 22984717) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one
PubChem CID22984717
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2CC3CCC(C3)C2)CCCC1C
InChIInChI=1S/C16H28N2O/c1-11-4-3-7-18(16(19)15(11)17-2)14-9-12-5-6-13(8-12)10-14/h11-15,17H,3-10H2,1-2H3
InChIKeyCMZJVQFJGVSAGR-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one (CID 22984717) is 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(C2CC3CCC(C3)C2)CCCC1C.
What is the InChIKey of 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is CMZJVQFJGVSAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-4-3-7-18(16(19)15(11)17-2)14-9-12-5-6-13(8-12)10-14/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one?
1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).