3-methoxy-2,2-dimethylpropan-1-amine

• ChemBase ID: 308218
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(CN)(COC)(C)C
• Canonical SMILES: NCC(COC)(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2,4-7)5-8-3/h4-5,7H2,1-3H3
• InChIKey: PQUOEPYRTBAJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,2-dimethylpropan-1-amine
• IUPAC Traditional name: 3-methoxy-2,2-dimethylpropan-1-amine
• Synonyms: (3-methoxy-2,2-dimethylpropyl)amine

Database IDs

• CAS Number: 767264-22-2
• MDL Number: MFCD09840885

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6536236
• LogD (pH = 7.4): -1.9938979
• Log P: 0.3592005
• Molar Refractivity: 34.587 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2