2-cyclohexylpentanenitrile

C11H19N — CID 20506214

IUPAC2-cyclohexylpentanenitrile
SMILESCCCC(C#N)C1CCCCC1
InChIInChI=1S/C11H19N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h10-11H,2-8H2,1H3
InChIKeyFSCQKDBITDGJCP-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.51
Rot. Bonds3

About 2-cyclohexylpentanenitrile

2-cyclohexylpentanenitrile (PubChem CID 20506214) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-cyclohexylpentanenitrile.

Molecular Properties

Compound Name2-cyclohexylpentanenitrile
PubChem CID20506214
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-cyclohexylpentanenitrile
SMILESCCCC(C#N)C1CCCCC1
InChIInChI=1S/C11H19N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h10-11H,2-8H2,1H3
InChIKeyFSCQKDBITDGJCP-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

2-cyclohexyl-5-[4-(4-octylphenyl)phenyl]pentanenitrile
CID 70433293
2-cyclobutyl-3-hydroxypropanenitrile
CID 130825649
butane;pentan-2-ylcyclohexane
CID 143682251
ethane;pentan-2-ylcyclohexane
CID 143225886
2-cyclohexyl-2-(propylamino)acetonitrile
CID 43115221
2-(cyclooctanecarbonyl)pentanenitrile
CID 79405801
2-cyclohexylpropanedinitrile
CID 11171058
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
2-cyclohexylpropanedinitrile;methane
CID 142914800
2-cycloheptyl-N-methylpentan-1-amine
CID 82932063
2-[cyclopropyl(hydroxy)methyl]pentanenitrile
CID 79412769
[(4R)-2-methylheptan-4-yl]cyclohexane
CID 140562614

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpentanenitrile?
The IUPAC name of 2-cyclohexylpentanenitrile (CID 20506214) is 2-cyclohexylpentanenitrile.
What is the SMILES notation for 2-cyclohexylpentanenitrile?
The canonical SMILES for 2-cyclohexylpentanenitrile is CCCC(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpentanenitrile?
The InChIKey is FSCQKDBITDGJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h10-11H,2-8H2,1H3.
What are the key properties of 2-cyclohexylpentanenitrile?
2-cyclohexylpentanenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpentanenitrile is sourced from PubChem (CID 20506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).