(pentan-3-yl)(propyl)amine

• ChemBase ID: 307900
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: N(C(CC)CC)CCC
• Canonical SMILES: CCCNC(CC)CC
• InChI: InChI=1S/C8H19N/c1-4-7-9-8(5-2)6-3/h8-9H,4-7H2,1-3H3
• InChIKey: QLEKHMZVJVKWQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentan-3-yl)(propyl)amine
• IUPAC Traditional name: pentan-3-yl(propyl)amine
• Synonyms: (1-ethylpropyl)propylamine

Database IDs

• CAS Number: 762213-03-6
• MDL Number: MFCD08691719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7346289
• LogD (pH = 7.4): -0.5725431
• Log P: 2.5048797
• Molar Refractivity: 42.1814 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2