2,4-dimethylpentan-3-amine

• ChemBase ID: 308979
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(N)(C(C)C)C(C)C
• Canonical SMILES: NC(C(C)C)C(C)C
• InChI: InChI=1S/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3
• InChIKey: FATQVQVMXNESGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpentan-3-amine
• IUPAC Traditional name: 2,4-dimethylpentan-3-amine
• Synonyms: (1-isopropyl-2-methylpropyl)amine

Database IDs

• CAS Number: 4083-57-2
• MDL Number: MFCD00015041

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.106261
• LogD (pH = 7.4): -0.8737373
• Log P: 1.9229145
• Molar Refractivity: 37.0774 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2