2-(dimethylamino)-4-methylpentanenitrile

C8H16N2 — CID 43802600

IUPAC2-(dimethylamino)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)N(C)C
InChIInChI=1S/C8H16N2/c1-7(2)5-8(6-9)10(3)4/h7-8H,5H2,1-4H3
InChIKeyPJBOVCXZJSGLNC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds3

About 2-(dimethylamino)-4-methylpentanenitrile

2-(dimethylamino)-4-methylpentanenitrile (PubChem CID 43802600) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylpentanenitrile
PubChem CID43802600
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(dimethylamino)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)N(C)C
InChIInChI=1S/C8H16N2/c1-7(2)5-8(6-9)10(3)4/h7-8H,5H2,1-4H3
InChIKeyPJBOVCXZJSGLNC-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-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-(dimethylamino)-4-methylpentanenitrile?
The IUPAC name of 2-(dimethylamino)-4-methylpentanenitrile (CID 43802600) is 2-(dimethylamino)-4-methylpentanenitrile.
What is the SMILES notation for 2-(dimethylamino)-4-methylpentanenitrile?
The canonical SMILES for 2-(dimethylamino)-4-methylpentanenitrile is CC(C)CC(C#N)N(C)C.
What is the InChIKey of 2-(dimethylamino)-4-methylpentanenitrile?
The InChIKey is PJBOVCXZJSGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)5-8(6-9)10(3)4/h7-8H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-4-methylpentanenitrile?
2-(dimethylamino)-4-methylpentanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methylpentanenitrile is sourced from PubChem (CID 43802600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).