4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile

C15H27N — CID 25003832

IUPAC4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile
SMILESCC(CCC#N)CCC1CCC(C)C1(C)C
InChIInChI=1S/C15H27N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h12-14H,5-10H2,1-4H3
InChIKeyHOBBOUYJWZCYSG-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.78
Rot. Bonds5

About 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile

4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile (PubChem CID 25003832) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile.

Molecular Properties

Compound Name4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile
PubChem CID25003832
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile
SMILESCC(CCC#N)CCC1CCC(C)C1(C)C
InChIInChI=1S/C15H27N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h12-14H,5-10H2,1-4H3
InChIKeyHOBBOUYJWZCYSG-UHFFFAOYSA-N
XLogP4.78
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
CID 15834352
2,2-Dimethylcyclopentane-1-carbonitrile
CID 10057496
Spiro[2.4]heptane-4-carbonitrile
CID 19813790
2-(3-Fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
CID 15459077
2-[(1R,3S)-3-fluoro-2,2,3-trimethylcyclopentyl]acetonitrile
CID 177598404
2-Cyclopentylbutyronitrile
CID 83681760
3-Methyl-3-propan-2-ylheptanenitrile
CID 170848821
2-[3-Ethyl-2,2-bis(trifluoromethyl)cyclopentyl]acetonitrile
CID 173597645
3-Ethyl-2,2-bis(trifluoromethyl)cyclopentane-1-carbonitrile
CID 173597752
3-[3-Ethyl-2,2-bis(trifluoromethyl)cyclopentyl]propanenitrile
CID 173597789
2-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile
CID 14589637
Cyclopentaneacetonitrile, 1,2,2-trimethyl-
CID 45098306

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile?
The IUPAC name of 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile (CID 25003832) is 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile.
What is the SMILES notation for 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile?
The canonical SMILES for 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile is CC(CCC#N)CCC1CCC(C)C1(C)C.
What is the InChIKey of 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile?
The InChIKey is HOBBOUYJWZCYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h12-14H,5-10H2,1-4H3.
What are the key properties of 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile?
4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile has a molecular weight of 221.39 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,2,3-trimethylcyclopentyl)hexanenitrile is sourced from PubChem (CID 25003832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).