azepan-1-yl-(2,2-dimethylcyclopentyl)methanone

C14H25NO — CID 104916412

IUPACazepan-1-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCCCCC1
InChIInChI=1S/C14H25NO/c1-14(2)9-7-8-12(14)13(16)15-10-5-3-4-6-11-15/h12H,3-11H2,1-2H3
InChIKeyNSDPIBPTSLIGRN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds1

About azepan-1-yl-(2,2-dimethylcyclopentyl)methanone

azepan-1-yl-(2,2-dimethylcyclopentyl)methanone (PubChem CID 104916412) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is azepan-1-yl-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,2-dimethylcyclopentyl)methanone
PubChem CID104916412
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameazepan-1-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCCCCC1
InChIInChI=1S/C14H25NO/c1-14(2)9-7-8-12(14)13(16)15-10-5-3-4-6-11-15/h12H,3-11H2,1-2H3
InChIKeyNSDPIBPTSLIGRN-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze azepan-1-yl-(2,2-dimethylcyclopentyl)methanone 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 azepan-1-yl-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of azepan-1-yl-(2,2-dimethylcyclopentyl)methanone (CID 104916412) is azepan-1-yl-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for azepan-1-yl-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for azepan-1-yl-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is NSDPIBPTSLIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)9-7-8-12(14)13(16)15-10-5-3-4-6-11-15/h12H,3-11H2,1-2H3.
What are the key properties of azepan-1-yl-(2,2-dimethylcyclopentyl)methanone?
azepan-1-yl-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 223.36 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 104916412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).