1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one

C14H26N2O — CID 79572425

IUPAC1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one
SMILESCC1CCC(=O)N(CCC2CCCC2N)CC1
InChIInChI=1S/C14H26N2O/c1-11-5-6-14(17)16(9-7-11)10-8-12-3-2-4-13(12)15/h11-13H,2-10,15H2,1H3
InChIKeyOBYKUAPEHKGHEB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one

1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one (PubChem CID 79572425) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one.

Molecular Properties

Compound Name1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one
PubChem CID79572425
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one
SMILESCC1CCC(=O)N(CCC2CCCC2N)CC1
InChIInChI=1S/C14H26N2O/c1-11-5-6-14(17)16(9-7-11)10-8-12-3-2-4-13(12)15/h11-13H,2-10,15H2,1H3
InChIKeyOBYKUAPEHKGHEB-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-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-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one?
The IUPAC name of 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one (CID 79572425) is 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one.
What is the SMILES notation for 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one?
The canonical SMILES for 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one is CC1CCC(=O)N(CCC2CCCC2N)CC1.
What is the InChIKey of 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one?
The InChIKey is OBYKUAPEHKGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-5-6-14(17)16(9-7-11)10-8-12-3-2-4-13(12)15/h11-13H,2-10,15H2,1H3.
What are the key properties of 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one?
1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminocyclopentyl)ethyl]-5-methylazepan-2-one is sourced from PubChem (CID 79572425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).