[1-(methoxymethyl)cyclobutyl]methanamine

• ChemBase ID: 307991
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(CN)(COC)CCC1
• Canonical SMILES: NCC1(CCC1)COC
• InChI: InChI=1S/C7H15NO/c1-9-6-7(5-8)3-2-4-7/h2-6,8H2,1H3
• InChIKey: XVJNIDSLCWMUBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methoxymethyl)cyclobutyl]methanamine
• IUPAC Traditional name: [1-(methoxymethyl)cyclobutyl]methanamine
• Synonyms: 1-[1-(methoxymethyl)cyclobutyl]methanamine

Database IDs

• MDL Number: MFCD22378380

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6720133
• LogD (pH = 7.4): -1.9999868
• Log P: 0.34004328
• Molar Refractivity: 37.3858 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2