5-cyclopentylhexanenitrile

C11H19N — CID 18433853

IUPAC5-cyclopentylhexanenitrile
SMILESCC(CCCC#N)C1CCCC1
InChIInChI=1S/C11H19N/c1-10(6-4-5-9-12)11-7-2-3-8-11/h10-11H,2-8H2,1H3
InChIKeyNVKDEKYWTQXNHG-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.51
Rot. Bonds4

About 5-cyclopentylhexanenitrile

5-cyclopentylhexanenitrile (PubChem CID 18433853) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-cyclopentylhexanenitrile.

Molecular Properties

Compound Name5-cyclopentylhexanenitrile
PubChem CID18433853
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-cyclopentylhexanenitrile
SMILESCC(CCCC#N)C1CCCC1
InChIInChI=1S/C11H19N/c1-10(6-4-5-9-12)11-7-2-3-8-11/h10-11H,2-8H2,1H3
InChIKeyNVKDEKYWTQXNHG-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyclopentylhexanenitrile 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 5-cyclopentylhexanenitrile?
The IUPAC name of 5-cyclopentylhexanenitrile (CID 18433853) is 5-cyclopentylhexanenitrile.
What is the SMILES notation for 5-cyclopentylhexanenitrile?
The canonical SMILES for 5-cyclopentylhexanenitrile is CC(CCCC#N)C1CCCC1.
What is the InChIKey of 5-cyclopentylhexanenitrile?
The InChIKey is NVKDEKYWTQXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(6-4-5-9-12)11-7-2-3-8-11/h10-11H,2-8H2,1H3.
What are the key properties of 5-cyclopentylhexanenitrile?
5-cyclopentylhexanenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylhexanenitrile is sourced from PubChem (CID 18433853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).