(3-methylbutan-2-yl)(propyl)amine

• ChemBase ID: 307884
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: C(NCCC)(C(C)C)C
• Canonical SMILES: CCCNC(C(C)C)C
• InChI: InChI=1S/C8H19N/c1-5-6-9-8(4)7(2)3/h7-9H,5-6H2,1-4H3
• InChIKey: FUUDGATULFIMIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylbutan-2-yl)(propyl)amine
• IUPAC Traditional name: (3-methylbutan-2-yl)(propyl)amine
• Synonyms: (1,2-dimethylpropyl)propylamine

Database IDs

• CAS Number: 39190-94-8
• MDL Number: MFCD08691707

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8921803
• LogD (pH = 7.4): -0.7301917
• Log P: 2.34733
• Molar Refractivity: 42.129 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2