(1R,3S,5S)-3-methoxy-8-azabicyclo[3.2.1]octane

• ChemBase ID: 308567
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1[C@H]2C[C@@H](C[C@@H]1CC2)OC
• Canonical SMILES: CO[C@@H]1C[C@@H]2CC[C@H](C1)N2
• InChI: InChI=1S/C8H15NO/c1-10-8-4-6-2-3-7(5-8)9-6/h6-9H,2-5H2,1H3/t6-,7+,8+
• InChIKey: GPCOICWXCKOIEM-JIGDXULJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3S,5S)-3-methoxy-8-azabicyclo[3.2.1]octane
• IUPAC Traditional name: (1R,3S,5S)-3-methoxy-8-azabicyclo[3.2.1]octane
• Synonyms: (3-endo)-3-methoxy-8-azabicyclo[3.2.1]octane

Database IDs

• CAS Number: 1256643-17-0
• MDL Number: MFCD17214353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.946089
• LogD (pH = 7.4): -2.7959576
• Log P: 0.29363924
• Molar Refractivity: 40.0503 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2