(2-amino-2-methylpropyl)dimethylamine

• ChemBase ID: 74514
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(C)(C)CC(C)(N)C
• Canonical SMILES: CN(CC(N)(C)C)C
• InChI: InChI=1S/C6H16N2/c1-6(2,7)5-8(3)4/h5,7H2,1-4H3
• InChIKey: IRNAEDHJBNPCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-2-methylpropyl)dimethylamine
• IUPAC Traditional name: (2-amino-2-methylpropyl)dimethylamine
• Synonyms: 1-Dimethylamino-2-methyl-2-aminopropane; (2-amino-2-methylpropyl)dimethylamine

Database IDs

• CAS Number: 89379-40-8
• MDL Number: MFCD00269646
• PubChem SID: 162039433
• PubChem CID: 226843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9045963
• LogD (pH = 7.4): -2.7231724
• Log P: 0.09033735
• Molar Refractivity: 36.9949 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true