[2-(cyclobutylmethoxy)ethyl](methyl)amine

• ChemBase ID: 244582
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N(CCOCC1CCC1)C
• Canonical SMILES: CNCCOCC1CCC1
• InChI: InChI=1S/C8H17NO/c1-9-5-6-10-7-8-3-2-4-8/h8-9H,2-7H2,1H3
• InChIKey: NSTBOMGFBSUGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclobutylmethoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(cyclobutylmethoxy)ethyl](methyl)amine
• Synonyms: [2-(cyclobutylmethoxy)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD06246457
• PubChem SID: 164300492
• PubChem CID: 65457851

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2098544
• LogD (pH = 7.4): -1.2564178
• Log P: 0.98529196
• Molar Refractivity: 42.2799 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.164

Product Information

• Purity: 95%