4-methyl-2-propylcyclohexane-1-carbonitrile

C11H19N — CID 142857903

IUPAC4-methyl-2-propylcyclohexane-1-carbonitrile
SMILESCCCC1CC(C)CCC1C#N
InChIInChI=1S/C11H19N/c1-3-4-10-7-9(2)5-6-11(10)8-12/h9-11H,3-7H2,1-2H3
InChIKeyUVWFNNYAYWVMPZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.36
Rot. Bonds2

About 4-methyl-2-propylcyclohexane-1-carbonitrile

4-methyl-2-propylcyclohexane-1-carbonitrile (PubChem CID 142857903) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-methyl-2-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-propylcyclohexane-1-carbonitrile
PubChem CID142857903
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-methyl-2-propylcyclohexane-1-carbonitrile
SMILESCCCC1CC(C)CCC1C#N
InChIInChI=1S/C11H19N/c1-3-4-10-7-9(2)5-6-11(10)8-12/h9-11H,3-7H2,1-2H3
InChIKeyUVWFNNYAYWVMPZ-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-2-bromo-4-methylcyclohexane-1-carbonitrile
CID 130748404
2-but-2-enoxy-4-methylcyclohexane-1-carbonitrile
CID 114998554
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
2-[cyclopropylmethyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63955782
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane
CID 91145673

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propylcyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-2-propylcyclohexane-1-carbonitrile (CID 142857903) is 4-methyl-2-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-2-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-2-propylcyclohexane-1-carbonitrile is CCCC1CC(C)CCC1C#N.
What is the InChIKey of 4-methyl-2-propylcyclohexane-1-carbonitrile?
The InChIKey is UVWFNNYAYWVMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-10-7-9(2)5-6-11(10)8-12/h9-11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-propylcyclohexane-1-carbonitrile?
4-methyl-2-propylcyclohexane-1-carbonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 142857903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).