2-cyclohexyl-2-methylpropanenitrile

C10H17N — CID 4100757

IUPAC2-cyclohexyl-2-methylpropanenitrile
SMILESCC(C)(C#N)C1CCCCC1
InChIInChI=1S/C10H17N/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyWSFMYWWIDQSYLI-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.12
Rot. Bonds1

About 2-cyclohexyl-2-methylpropanenitrile

2-cyclohexyl-2-methylpropanenitrile (PubChem CID 4100757) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-cyclohexyl-2-methylpropanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-methylpropanenitrile
PubChem CID4100757
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-cyclohexyl-2-methylpropanenitrile
SMILESCC(C)(C#N)C1CCCCC1
InChIInChI=1S/C10H17N/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKeyWSFMYWWIDQSYLI-UHFFFAOYSA-N
XLogP3.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methylpropanenitrile?
The IUPAC name of 2-cyclohexyl-2-methylpropanenitrile (CID 4100757) is 2-cyclohexyl-2-methylpropanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-methylpropanenitrile?
The canonical SMILES for 2-cyclohexyl-2-methylpropanenitrile is CC(C)(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methylpropanenitrile?
The InChIKey is WSFMYWWIDQSYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methylpropanenitrile?
2-cyclohexyl-2-methylpropanenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methylpropanenitrile is sourced from PubChem (CID 4100757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).