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

• ChemBase ID: 309761
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N1C[C@H]2C[C@H](CC2)C1
• Canonical SMILES: N1C[C@@H]2CC[C@H](C1)C2
• InChI: InChI=1S/C7H13N/c1-2-7-3-6(1)4-8-5-7/h6-8H,1-5H2/t6-,7+
• InChIKey: CJQNJRRDTPULTL-KNVOCYPGSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 279-82-3
• MDL Number: MFCD19982749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.311252
• LogD (pH = 7.4): -1.9563559
• Log P: 0.9237074
• Molar Refractivity: 33.9764 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 12.03 Å^2