1-methoxy-3-methylbutan-2-amine

• ChemBase ID: 279227
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(N)(C(C)C)COC
• Canonical SMILES: COCC(C(C)C)N
• InChI: InChI=1S/C6H15NO/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3
• InChIKey: PVNWTJLUPPXWDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-3-methylbutan-2-amine
• IUPAC Traditional name: 1-methoxy-3-methylbutan-2-amine
• Synonyms: 1-methoxy-3-methylbutan-2-amine

Database IDs

• MDL Number: MFCD06248008
• PubChem SID: 164335137
• PubChem CID: 12839819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3782048
• LogD (pH = 7.4): -1.6726419
• Log P: 0.63163584
• Molar Refractivity: 34.3767 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.705

Product Information

• Purity: 95%