5-cyclopentyl-3-methylhexanenitrile

C12H21N — CID 22082010

IUPAC5-cyclopentyl-3-methylhexanenitrile
SMILESCC(CC#N)CC(C)C1CCCC1
InChIInChI=1S/C12H21N/c1-10(7-8-13)9-11(2)12-5-3-4-6-12/h10-12H,3-7,9H2,1-2H3
InChIKeyMKNIUBSDCWSBPD-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds4

About 5-cyclopentyl-3-methylhexanenitrile

5-cyclopentyl-3-methylhexanenitrile (PubChem CID 22082010) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 5-cyclopentyl-3-methylhexanenitrile.

Molecular Properties

Compound Name5-cyclopentyl-3-methylhexanenitrile
PubChem CID22082010
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name5-cyclopentyl-3-methylhexanenitrile
SMILESCC(CC#N)CC(C)C1CCCC1
InChIInChI=1S/C12H21N/c1-10(7-8-13)9-11(2)12-5-3-4-6-12/h10-12H,3-7,9H2,1-2H3
InChIKeyMKNIUBSDCWSBPD-UHFFFAOYSA-N
XLogP3.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-cyclopentyl-3-methylhexanenitrile 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-cyclopentyl-3-methylhexanenitrile?
The IUPAC name of 5-cyclopentyl-3-methylhexanenitrile (CID 22082010) is 5-cyclopentyl-3-methylhexanenitrile.
What is the SMILES notation for 5-cyclopentyl-3-methylhexanenitrile?
The canonical SMILES for 5-cyclopentyl-3-methylhexanenitrile is CC(CC#N)CC(C)C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-methylhexanenitrile?
The InChIKey is MKNIUBSDCWSBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(7-8-13)9-11(2)12-5-3-4-6-12/h10-12H,3-7,9H2,1-2H3.
What are the key properties of 5-cyclopentyl-3-methylhexanenitrile?
5-cyclopentyl-3-methylhexanenitrile has a molecular weight of 179.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-methylhexanenitrile is sourced from PubChem (CID 22082010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).