1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one

C15H28N2O — CID 22984797

IUPAC1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(CC2CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-16-14-10-6-7-11-17(15(14)18)12-13-8-4-2-3-5-9-13/h13-14,16H,2-12H2,1H3
InChIKeyRKJQMLVBWCGTAS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds3

About 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one

1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one (PubChem CID 22984797) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
PubChem CID22984797
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
SMILESCNC1CCCCN(CC2CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-16-14-10-6-7-11-17(15(14)18)12-13-8-4-2-3-5-9-13/h13-14,16H,2-12H2,1H3
InChIKeyRKJQMLVBWCGTAS-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cycloheptylmethyl)-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-(cycloheptylmethyl)-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one (CID 22984797) is 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one is CNC1CCCCN(CC2CCCCCC2)C1=O.
What is the InChIKey of 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one?
The InChIKey is RKJQMLVBWCGTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-14-10-6-7-11-17(15(14)18)12-13-8-4-2-3-5-9-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one?
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one is sourced from PubChem (CID 22984797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).