methyl(pentan-3-yl)amine

• ChemBase ID: 308041
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: N(C(CC)CC)C
• Canonical SMILES: CCC(NC)CC
• InChI: InChI=1S/C6H15N/c1-4-6(5-2)7-3/h6-7H,4-5H2,1-3H3
• InChIKey: IFFVNFLXNMUQEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pentan-3-yl)amine
• IUPAC Traditional name: methyl(pentan-3-yl)amine
• Synonyms: (1-ethylpropyl)methylamine

Database IDs

• CAS Number: 52317-98-3
• MDL Number: MFCD09046900

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6124272
• LogD (pH = 7.4): -1.375181
• Log P: 1.6255493
• Molar Refractivity: 32.9088 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2