2-phenyl-2-propylpentanenitrile

C14H19N — CID 12754193

IUPAC2-phenyl-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)c1ccccc1
InChIInChI=1S/C14H19N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKeyVZFHOKANOVYGHO-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.05
Rot. Bonds5

About 2-phenyl-2-propylpentanenitrile

2-phenyl-2-propylpentanenitrile (PubChem CID 12754193) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-phenyl-2-propylpentanenitrile.

Molecular Properties

Compound Name2-phenyl-2-propylpentanenitrile
PubChem CID12754193
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-phenyl-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)c1ccccc1
InChIInChI=1S/C14H19N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKeyVZFHOKANOVYGHO-UHFFFAOYSA-N
XLogP4.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-2-propylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-4-phenylheptanoic acid
CID 13260830
(2S,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465965
(2R,4S)-4-hydroxy-2-phenyl-2-propylpentanenitrile
CID 125465966
2-propyl-2-pyridin-3-ylpentanenitrile
CID 80522522
2-butyl-2-phenylhex-5-enenitrile
CID 68827798
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
2-ethyl-2-phenyl-4-triphenylsilylbutanenitrile
CID 101138929
2-ethyl-2-(2-phenylphenyl)pentanenitrile
CID 68777509
CID 173375718
CID 173375718
2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696
2-acetyl-2-phenylpentanenitrile
CID 66432570
(E)-2-(2-chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enenitrile
CID 13382302

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-propylpentanenitrile?
The IUPAC name of 2-phenyl-2-propylpentanenitrile (CID 12754193) is 2-phenyl-2-propylpentanenitrile.
What is the SMILES notation for 2-phenyl-2-propylpentanenitrile?
The canonical SMILES for 2-phenyl-2-propylpentanenitrile is CCCC(C#N)(CCC)c1ccccc1.
What is the InChIKey of 2-phenyl-2-propylpentanenitrile?
The InChIKey is VZFHOKANOVYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-10-14(12-15,11-4-2)13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2-phenyl-2-propylpentanenitrile?
2-phenyl-2-propylpentanenitrile has a molecular weight of 201.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-propylpentanenitrile is sourced from PubChem (CID 12754193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).