[1-(2-methoxyethyl)cyclobutyl]methanamine

• ChemBase ID: 238522
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: C1(CN)(CCC1)CCOC
• Canonical SMILES: NCC1(CCOC)CCC1
• InChI: InChI=1S/C8H17NO/c1-10-6-5-8(7-9)3-2-4-8/h2-7,9H2,1H3
• InChIKey: DUZWPHTXSOEBCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)cyclobutyl]methanamine
• IUPAC Traditional name: [1-(2-methoxyethyl)cyclobutyl]methanamine
• Synonyms: [1-(2-methoxyethyl)cyclobutyl]methanamine

Database IDs

• MDL Number: MFCD21131483
• PubChem SID: 164294432
• PubChem CID: 65194526

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.386254
• LogD (pH = 7.4): -1.7628236
• Log P: 0.6287045
• Molar Refractivity: 42.1408 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.645

Product Information

• Purity: 95%