methyl[2-(oxan-2-yl)ethyl]amine

• ChemBase ID: 306560
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O1C(CCNC)CCCC1
• Canonical SMILES: CNCCC1CCCCO1
• InChI: InChI=1S/C8H17NO/c1-9-6-5-8-4-2-3-7-10-8/h8-9H,2-7H2,1H3
• InChIKey: BTHOXOWVAORCIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(oxan-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(oxan-2-yl)ethyl]amine
• Synonyms: N-methyl-2-(tetrahydro-2H-pyran-2-yl)ethanamine

Database IDs

• MDL Number: MFCD09027575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4999888
• LogD (pH = 7.4): -2.008815
• Log P: 0.730239
• Molar Refractivity: 42.4145 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2