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

• ChemBase ID: 308093
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(NC)(COC)(C)C
• Canonical SMILES: COCC(NC)(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2,7-3)5-8-4/h7H,5H2,1-4H3
• InChIKey: PEZCONMNKQLFHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1177316-77-6
• MDL Number: MFCD11053914

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7536206
• LogD (pH = 7.4): -1.9472716
• Log P: 0.4572977
• Molar Refractivity: 34.7939 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 21.26 Å^2