2-(4-ethylcyclohexyl)benzonitrile

C15H19N — CID 56626260

IUPAC2-(4-ethylcyclohexyl)benzonitrile
SMILESCCC1CCC(c2ccccc2C#N)CC1
InChIInChI=1S/C15H19N/c1-2-12-7-9-13(10-8-12)15-6-4-3-5-14(15)11-16/h3-6,12-13H,2,7-10H2,1H3
InChIKeyXUSGBXKYICCHHN-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.24
Rot. Bonds2

About 2-(4-ethylcyclohexyl)benzonitrile

2-(4-ethylcyclohexyl)benzonitrile (PubChem CID 56626260) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)benzonitrile.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)benzonitrile
PubChem CID56626260
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-(4-ethylcyclohexyl)benzonitrile
SMILESCCC1CCC(c2ccccc2C#N)CC1
InChIInChI=1S/C15H19N/c1-2-12-7-9-13(10-8-12)15-6-4-3-5-14(15)11-16/h3-6,12-13H,2,7-10H2,1H3
InChIKeyXUSGBXKYICCHHN-UHFFFAOYSA-N
XLogP4.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)benzonitrile?
The IUPAC name of 2-(4-ethylcyclohexyl)benzonitrile (CID 56626260) is 2-(4-ethylcyclohexyl)benzonitrile.
What is the SMILES notation for 2-(4-ethylcyclohexyl)benzonitrile?
The canonical SMILES for 2-(4-ethylcyclohexyl)benzonitrile is CCC1CCC(c2ccccc2C#N)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)benzonitrile?
The InChIKey is XUSGBXKYICCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-12-7-9-13(10-8-12)15-6-4-3-5-14(15)11-16/h3-6,12-13H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)benzonitrile?
2-(4-ethylcyclohexyl)benzonitrile has a molecular weight of 213.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)benzonitrile is sourced from PubChem (CID 56626260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).