(1-amino-2-methylpropan-2-yl)(methyl)amine

• ChemBase ID: 258946
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: C(NC)(CN)(C)C
• Canonical SMILES: NCC(NC)(C)C
• InChI: InChI=1S/C5H14N2/c1-5(2,4-6)7-3/h7H,4,6H2,1-3H3
• InChIKey: UWYSRQHOWXXYMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16664728
• PubChem SID: 164314856
• PubChem CID: 12665984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.1826262
• LogD (pH = 7.4): -3.1878676
• Log P: -0.29271057
• Molar Refractivity: 31.7002 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.688

Product Information

• Purity: 95%