4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile

C14H25N — CID 83168273

IUPAC4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
SMILESCC(C)CCCC1(C#N)CCC(C)CC1
InChIInChI=1S/C14H25N/c1-12(2)5-4-8-14(11-15)9-6-13(3)7-10-14/h12-13H,4-10H2,1-3H3
InChIKeyLEWLUVHEWDUEQG-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.53
Rot. Bonds4

About 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile

4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile (PubChem CID 83168273) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
PubChem CID83168273
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile
SMILESCC(C)CCCC1(C#N)CCC(C)CC1
InChIInChI=1S/C14H25N/c1-12(2)5-4-8-14(11-15)9-6-13(3)7-10-14/h12-13H,4-10H2,1-3H3
InChIKeyLEWLUVHEWDUEQG-UHFFFAOYSA-N
XLogP4.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile (CID 83168273) is 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile is CC(C)CCCC1(C#N)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile?
The InChIKey is LEWLUVHEWDUEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)5-4-8-14(11-15)9-6-13(3)7-10-14/h12-13H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile?
4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile has a molecular weight of 207.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylpentyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 83168273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).