methyl[3-(oxolan-2-yl)propyl]amine

• ChemBase ID: 307613
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: O1C(CCCNC)CCC1
• Canonical SMILES: CNCCCC1CCCO1
• InChI: InChI=1S/C8H17NO/c1-9-6-2-4-8-5-3-7-10-8/h8-9H,2-7H2,1H3
• InChIKey: SLKWAGFQOAXGGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(oxolan-2-yl)propyl]amine
• IUPAC Traditional name: methyl[3-(oxolan-2-yl)propyl]amine
• Synonyms: N-methyl-3-(tetrahydrofuran-2-yl)propan-1-amine

Database IDs

• CAS Number: 7179-89-7
• MDL Number: MFCD08060052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4321423
• LogD (pH = 7.4): -2.0846503
• Log P: 0.803033
• Molar Refractivity: 42.4581 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2