(1-amino-2-methylpropan-2-yl)(ethyl)methylamine

• ChemBase ID: 308212
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: C(N(CC)C)(CN)(C)C
• Canonical SMILES: CCN(C(CN)(C)C)C
• InChI: InChI=1S/C7H18N2/c1-5-9(4)7(2,3)6-8/h5-6,8H2,1-4H3
• InChIKey: CSGYGWFTUJILNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-amino-2-methylpropan-2-yl)(ethyl)methylamine
• IUPAC Traditional name: (1-amino-2-methylpropan-2-yl)(ethyl)methylamine
• Synonyms: (2-amino-1,1-dimethylethyl)ethyl(methyl)amine

Database IDs

• CAS Number: 1018289-07-0
• MDL Number: MFCD10026603

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.374689
• LogD (pH = 7.4): -2.2070541
• Log P: 0.4471453
• Molar Refractivity: 41.7435 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2