methyl[2-(oxan-4-yl)ethyl]amine

• ChemBase ID: 237693
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O1CCC(CCNC)CC1
• Canonical SMILES: CNCCC1CCOCC1
• InChI: InChI=1S/C8H17NO/c1-9-5-2-8-3-6-10-7-4-8/h8-9H,2-7H2,1H3
• InChIKey: AFRJSXZUSJELQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(oxan-4-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(oxan-4-yl)ethyl]amine
• Synonyms: methyl[2-(oxan-4-yl)ethyl]amine; N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine

Database IDs

• MDL Number: MFCD09971165
• PubChem SID: 164293603
• PubChem CID: 20719713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.639434
• LogD (pH = 7.4): -2.284459
• Log P: 0.5955233
• Molar Refractivity: 42.6649 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.262

Product Information

• Purity: 95%