3-methyl-2-(methylamino)butanenitrile

C6H12N2 — CID 15677238

IUPAC3-methyl-2-(methylamino)butanenitrile
SMILESCNC(C#N)C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)6(4-7)8-3/h5-6,8H,1-3H3
InChIKeyLHZPNEANLZZZHS-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.75
Rot. Bonds2

About 3-methyl-2-(methylamino)butanenitrile

3-methyl-2-(methylamino)butanenitrile (PubChem CID 15677238) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name3-methyl-2-(methylamino)butanenitrile
PubChem CID15677238
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-methyl-2-(methylamino)butanenitrile
SMILESCNC(C#N)C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)6(4-7)8-3/h5-6,8H,1-3H3
InChIKeyLHZPNEANLZZZHS-UHFFFAOYSA-N
XLogP0.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-(methylamino)butanenitrile 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 3-methyl-2-(methylamino)butanenitrile?
The IUPAC name of 3-methyl-2-(methylamino)butanenitrile (CID 15677238) is 3-methyl-2-(methylamino)butanenitrile.
What is the SMILES notation for 3-methyl-2-(methylamino)butanenitrile?
The canonical SMILES for 3-methyl-2-(methylamino)butanenitrile is CNC(C#N)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)butanenitrile?
The InChIKey is LHZPNEANLZZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)6(4-7)8-3/h5-6,8H,1-3H3.
What are the key properties of 3-methyl-2-(methylamino)butanenitrile?
3-methyl-2-(methylamino)butanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)butanenitrile is sourced from PubChem (CID 15677238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).