2-amino-2,4-dimethylpentanenitrile

• ChemBase ID: 264106
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: N#CC(N)(CC(C)C)C
• Canonical SMILES: CC(CC(C#N)(N)C)C
• InChI: InChI=1S/C7H14N2/c1-6(2)4-7(3,9)5-8/h6H,4,9H2,1-3H3
• InChIKey: PRTTZMKZMXANFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2,4-dimethylpentanenitrile
• IUPAC Traditional name: 2-amino-2,4-dimethylpentanenitrile
• Synonyms: 2-amino-2,4-dimethylpentanenitrile

Database IDs

• MDL Number: MFCD01938367
• PubChem SID: 164320016
• PubChem CID: 92251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2796372
• LogD (pH = 7.4): 1.03664
• Log P: 1.1661136
• Molar Refractivity: 37.8635 cm^3
• Polarizability: 14.99472 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.693

Product Information

• Purity: 95%