3-methylpentan-3-amine

• ChemBase ID: 309004
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C(N)(CC)(CC)C
• Canonical SMILES: CCC(CC)(N)C
• InChI: InChI=1S/C6H15N/c1-4-6(3,7)5-2/h4-5,7H2,1-3H3
• InChIKey: VQMPTVQCADWACQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpentan-3-amine
• IUPAC Traditional name: 3-methylpentan-3-amine
• Synonyms: (1-ethyl-1-methylpropyl)amine

Database IDs

• CAS Number: 3495-46-3
• MDL Number: MFCD00047907

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5567099
• LogD (pH = 7.4): -1.3763328
• Log P: 1.4735456
• Molar Refractivity: 32.7724 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2