4-(cyclopentylmethylamino)azepan-2-one

C12H22N2O — CID 63905028

IUPAC4-(cyclopentylmethylamino)azepan-2-one
SMILESO=C1CC(NCC2CCCC2)CCCN1
InChIInChI=1S/C12H22N2O/c15-12-8-11(6-3-7-13-12)14-9-10-4-1-2-5-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyUGFWGASGBIYNED-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds3

About 4-(cyclopentylmethylamino)azepan-2-one

4-(cyclopentylmethylamino)azepan-2-one (PubChem CID 63905028) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(cyclopentylmethylamino)azepan-2-one.

Molecular Properties

Compound Name4-(cyclopentylmethylamino)azepan-2-one
PubChem CID63905028
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(cyclopentylmethylamino)azepan-2-one
SMILESO=C1CC(NCC2CCCC2)CCCN1
InChIInChI=1S/C12H22N2O/c15-12-8-11(6-3-7-13-12)14-9-10-4-1-2-5-10/h10-11,14H,1-9H2,(H,13,15)
InChIKeyUGFWGASGBIYNED-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(cyclopentylmethylamino)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 4-(cyclopentylmethylamino)azepan-2-one?
The IUPAC name of 4-(cyclopentylmethylamino)azepan-2-one (CID 63905028) is 4-(cyclopentylmethylamino)azepan-2-one.
What is the SMILES notation for 4-(cyclopentylmethylamino)azepan-2-one?
The canonical SMILES for 4-(cyclopentylmethylamino)azepan-2-one is O=C1CC(NCC2CCCC2)CCCN1.
What is the InChIKey of 4-(cyclopentylmethylamino)azepan-2-one?
The InChIKey is UGFWGASGBIYNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-8-11(6-3-7-13-12)14-9-10-4-1-2-5-10/h10-11,14H,1-9H2,(H,13,15).
What are the key properties of 4-(cyclopentylmethylamino)azepan-2-one?
4-(cyclopentylmethylamino)azepan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylamino)azepan-2-one is sourced from PubChem (CID 63905028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).