2,4-dimethyl-3-phenylpentanedinitrile

C13H14N2 — CID 19049764

IUPAC2,4-dimethyl-3-phenylpentanedinitrile
SMILESCC(C#N)C(c1ccccc1)C(C)C#N
InChIInChI=1S/C13H14N2/c1-10(8-14)13(11(2)9-15)12-6-4-3-5-7-12/h3-7,10-11,13H,1-2H3
InChIKeyBFPSUEDPDCXHMV-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.09
Rot. Bonds3

About 2,4-dimethyl-3-phenylpentanedinitrile

2,4-dimethyl-3-phenylpentanedinitrile (PubChem CID 19049764) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,4-dimethyl-3-phenylpentanedinitrile.

Molecular Properties

Compound Name2,4-dimethyl-3-phenylpentanedinitrile
PubChem CID19049764
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2,4-dimethyl-3-phenylpentanedinitrile
SMILESCC(C#N)C(c1ccccc1)C(C)C#N
InChIInChI=1S/C13H14N2/c1-10(8-14)13(11(2)9-15)12-6-4-3-5-7-12/h3-7,10-11,13H,1-2H3
InChIKeyBFPSUEDPDCXHMV-UHFFFAOYSA-N
XLogP3.09
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-3-phenylpentanedinitrile 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

3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
ethane;2-phenylpropanenitrile
CID 91366777
acetonitrile;cumene
CID 141203612
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
CID 79136873
[cyano(phenyl)methyl]-trimethylazanium
CID 11108915
2,5-dimethyl-4-phenylhexanenitrile
CID 153467297
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
(2R)-2-bromo-2-phenylacetonitrile
CID 40572467
2-phenyl-2-phosphanylacetonitrile
CID 174529677
2,4-bis(2,2-dimethylpropanoyl)-3-phenylpentanedinitrile
CID 15649907

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phenylpentanedinitrile?
The IUPAC name of 2,4-dimethyl-3-phenylpentanedinitrile (CID 19049764) is 2,4-dimethyl-3-phenylpentanedinitrile.
What is the SMILES notation for 2,4-dimethyl-3-phenylpentanedinitrile?
The canonical SMILES for 2,4-dimethyl-3-phenylpentanedinitrile is CC(C#N)C(c1ccccc1)C(C)C#N.
What is the InChIKey of 2,4-dimethyl-3-phenylpentanedinitrile?
The InChIKey is BFPSUEDPDCXHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10(8-14)13(11(2)9-15)12-6-4-3-5-7-12/h3-7,10-11,13H,1-2H3.
What are the key properties of 2,4-dimethyl-3-phenylpentanedinitrile?
2,4-dimethyl-3-phenylpentanedinitrile has a molecular weight of 198.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phenylpentanedinitrile is sourced from PubChem (CID 19049764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).