(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decane

• ChemBase ID: 309172
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: [C@H]12[C@H]([C@@H]3C[C@H]1CC3)CNC2
• Canonical SMILES: N1C[C@@H]2[C@H](C1)[C@H]1C[C@@H]2CC1
• InChI: InChI=1S/C9H15N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h6-10H,1-5H2/t6-,7+,8-,9+
• InChIKey: VBSDAMAWZZSZMY-SPJNRGJMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,6S,7S)-4-azatricyclo[5.2.1.0^2,^6]decane
• IUPAC Traditional name: (1R,2R,6S,7S)-4-azatricyclo[5.2.1.0^2,^6]decane
• Synonyms: rac-(1R,2R,6S,7S)-4-azatricyclo[5.2.1.0~2,6~]decane

Database IDs

• MDL Number: MFCD18917051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.207253
• LogD (pH = 7.4): -2.152215
• Log P: 1.0340197
• Molar Refractivity: 41.2714 cm^3
• Polarizability: 16.65893 Å^3
• Polar Surface Area: 12.03 Å^2