2,2-diethyl-4-phenylbutanenitrile

C14H19N — CID 82138721

IUPAC2,2-diethyl-4-phenylbutanenitrile
SMILESCCC(C#N)(CC)CCc1ccccc1
InChIInChI=1S/C14H19N/c1-3-14(4-2,12-15)11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKeyRTBDHSZFKYONOD-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.95
Rot. Bonds5

About 2,2-diethyl-4-phenylbutanenitrile

2,2-diethyl-4-phenylbutanenitrile (PubChem CID 82138721) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-diethyl-4-phenylbutanenitrile.

Molecular Properties

Compound Name2,2-diethyl-4-phenylbutanenitrile
PubChem CID82138721
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,2-diethyl-4-phenylbutanenitrile
SMILESCCC(C#N)(CC)CCc1ccccc1
InChIInChI=1S/C14H19N/c1-3-14(4-2,12-15)11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
InChIKeyRTBDHSZFKYONOD-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-diethyl-4-phenylbutanenitrile 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

2,2-diethyl-5-phenoxypentanenitrile
CID 82138632
[(3S)-3-ethyl-3-methylpent-4-ynyl]benzene
CID 134967754
2-benzyl-2-methylbutanenitrile
CID 65377862
ethyl 2-cyano-2-hydroxy-4-phenylbutanoate
CID 139254749
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
(2R)-2-benzyl-2-hydroxybutanenitrile
CID 124564557
N-(1-cyano-1-hydroxy-3-phenylpropyl)acetamide
CID 141033040
3-(2-cyano-2-ethylbutyl)benzonitrile
CID 82111107
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
2,2-dibenzyl-3-hydroxypropanenitrile
CID 15566621
2,2-diethyl-6-(2-methylphenoxy)hexanenitrile
CID 82138641
2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
CID 60990377

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-phenylbutanenitrile?
The IUPAC name of 2,2-diethyl-4-phenylbutanenitrile (CID 82138721) is 2,2-diethyl-4-phenylbutanenitrile.
What is the SMILES notation for 2,2-diethyl-4-phenylbutanenitrile?
The canonical SMILES for 2,2-diethyl-4-phenylbutanenitrile is CCC(C#N)(CC)CCc1ccccc1.
What is the InChIKey of 2,2-diethyl-4-phenylbutanenitrile?
The InChIKey is RTBDHSZFKYONOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-14(4-2,12-15)11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of 2,2-diethyl-4-phenylbutanenitrile?
2,2-diethyl-4-phenylbutanenitrile has a molecular weight of 201.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-phenylbutanenitrile is sourced from PubChem (CID 82138721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).