(3-amino-2,2-dimethylpropyl)(methyl)amine

• ChemBase ID: 285733
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: C(CNC)(CN)(C)C
• Canonical SMILES: NCC(CNC)(C)C
• InChI: InChI=1S/C6H16N2/c1-6(2,4-7)5-8-3/h8H,4-5,7H2,1-3H3
• InChIKey: RHVOQYGAPIWRIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-2,2-dimethylpropyl)(methyl)amine
• IUPAC Traditional name: (3-amino-2,2-dimethylpropyl)(methyl)amine
• Synonyms: (3-amino-2,2-dimethylpropyl)(methyl)amine

Database IDs

• MDL Number: MFCD19205969
• PubChem SID: 180671264
• PubChem CID: 20349742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.679251
• LogD (pH = 7.4): -3.6884425
• Log P: 0.0417726
• Molar Refractivity: 36.2679 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.18

Product Information

• Purity: 95%