2-(2,6-dimethylanilino)-4-methylpentanenitrile

C14H20N2 — CID 82127098

IUPAC2-(2,6-dimethylanilino)-4-methylpentanenitrile
SMILESCc1cccc(C)c1NC(C#N)CC(C)C
InChIInChI=1S/C14H20N2/c1-10(2)8-13(9-15)16-14-11(3)6-5-7-12(14)4/h5-7,10,13,16H,8H2,1-4H3
InChIKeyCJIHPZRUAJGJFF-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.65
Rot. Bonds4

About 2-(2,6-dimethylanilino)-4-methylpentanenitrile

2-(2,6-dimethylanilino)-4-methylpentanenitrile (PubChem CID 82127098) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-4-methylpentanenitrile
PubChem CID82127098
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(2,6-dimethylanilino)-4-methylpentanenitrile
SMILESCc1cccc(C)c1NC(C#N)CC(C)C
InChIInChI=1S/C14H20N2/c1-10(2)8-13(9-15)16-14-11(3)6-5-7-12(14)4/h5-7,10,13,16H,8H2,1-4H3
InChIKeyCJIHPZRUAJGJFF-UHFFFAOYSA-N
XLogP3.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dimethylanilino)-4-methylpentanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-4-methylpentanenitrile?
The IUPAC name of 2-(2,6-dimethylanilino)-4-methylpentanenitrile (CID 82127098) is 2-(2,6-dimethylanilino)-4-methylpentanenitrile.
What is the SMILES notation for 2-(2,6-dimethylanilino)-4-methylpentanenitrile?
The canonical SMILES for 2-(2,6-dimethylanilino)-4-methylpentanenitrile is Cc1cccc(C)c1NC(C#N)CC(C)C.
What is the InChIKey of 2-(2,6-dimethylanilino)-4-methylpentanenitrile?
The InChIKey is CJIHPZRUAJGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)8-13(9-15)16-14-11(3)6-5-7-12(14)4/h5-7,10,13,16H,8H2,1-4H3.
What are the key properties of 2-(2,6-dimethylanilino)-4-methylpentanenitrile?
2-(2,6-dimethylanilino)-4-methylpentanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-4-methylpentanenitrile is sourced from PubChem (CID 82127098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).