2,4-dimethylpentan-2-amine

• ChemBase ID: 309625
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: C(N)(CC(C)C)(C)C
• Canonical SMILES: CC(CC(N)(C)C)C
• InChI: InChI=1S/C7H17N/c1-6(2)5-7(3,4)8/h6H,5,8H2,1-4H3
• InChIKey: BFUITLGNKICXGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 311813-01-1
• MDL Number: MFCD00102238

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3472708
• LogD (pH = 7.4): -1.148115
• Log P: 1.682611
• Molar Refractivity: 37.398 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 26.02 Å^2