3-(cyclohexylmethyl)-4-methylpentanenitrile

C13H23N — CID 67965037

IUPAC3-(cyclohexylmethyl)-4-methylpentanenitrile
SMILESCC(C)C(CC#N)CC1CCCCC1
InChIInChI=1S/C13H23N/c1-11(2)13(8-9-14)10-12-6-4-3-5-7-12/h11-13H,3-8,10H2,1-2H3
InChIKeyJRYQTLIKIKQWPJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.14
Rot. Bonds4

About 3-(cyclohexylmethyl)-4-methylpentanenitrile

3-(cyclohexylmethyl)-4-methylpentanenitrile (PubChem CID 67965037) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-methylpentanenitrile.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-methylpentanenitrile
PubChem CID67965037
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-(cyclohexylmethyl)-4-methylpentanenitrile
SMILESCC(C)C(CC#N)CC1CCCCC1
InChIInChI=1S/C13H23N/c1-11(2)13(8-9-14)10-12-6-4-3-5-7-12/h11-13H,3-8,10H2,1-2H3
InChIKeyJRYQTLIKIKQWPJ-UHFFFAOYSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cycloheptyl-4-methylpentanenitrile
CID 67965057
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
[2-(chloromethyl)-3-methylbutyl]cyclopentane
CID 66035214
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(3R)-3-cyclopentylbutanenitrile
CID 142587124
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
methane;2-methylpropylcyclopentane
CID 161254337

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-methylpentanenitrile?
The IUPAC name of 3-(cyclohexylmethyl)-4-methylpentanenitrile (CID 67965037) is 3-(cyclohexylmethyl)-4-methylpentanenitrile.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-methylpentanenitrile?
The canonical SMILES for 3-(cyclohexylmethyl)-4-methylpentanenitrile is CC(C)C(CC#N)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-methylpentanenitrile?
The InChIKey is JRYQTLIKIKQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2)13(8-9-14)10-12-6-4-3-5-7-12/h11-13H,3-8,10H2,1-2H3.
What are the key properties of 3-(cyclohexylmethyl)-4-methylpentanenitrile?
3-(cyclohexylmethyl)-4-methylpentanenitrile has a molecular weight of 193.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-methylpentanenitrile is sourced from PubChem (CID 67965037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).