(1R,2S,6R,7S)-4-azatricyclo[5.2.2.02,6]undecane

• ChemBase ID: 309174
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: [C@H]12[C@H]([C@@H]3CC[C@H]1CC3)CNC2
• Canonical SMILES: N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2CC1
• InChI: InChI=1S/C10H17N/c1-2-8-4-3-7(1)9-5-11-6-10(8)9/h7-11H,1-6H2/t7-,8+,9-,10+
• InChIKey: WRVOPOWJCLQYKA-YNFQOJQRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S,6R,7S)-4-azatricyclo[5.2.2.0^2,^6]undecane
• IUPAC Traditional name: (1R,2S,6R,7S)-4-azatricyclo[5.2.2.0^2,^6]undecane
• Synonyms: rac-(1R,2R,6S,7S)-4-azatricyclo[5.2.2.0~2,6~]undecane

Database IDs

• MDL Number: MFCD22690658

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.762806
• LogD (pH = 7.4): -1.7162449
• Log P: 1.4785883
• Molar Refractivity: 45.8724 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 12.03 Å^2