(1R,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane

• ChemBase ID: 78312
• Molecular Formular: C15H26N2
• Molecular Mass: 234.38034
• Monoisotopic Mass: 234.20959884
• SMILES: N12[C@H]([C@@H]3C[C@@H](C1)[C@@H]1CCCCN1C3)CCCC2
• Canonical SMILES: C1CC[C@@H]2N(C1)C[C@@H]1C[C@@H]2CN2[C@H]1CCCC2
• InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12?,13?,14-,15-/m0/s1
• InChIKey: SLRCCWJSBJZJBV-WUCCLRPBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane
• IUPAC Traditional name: (1R,2S,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane
• Synonyms: (-)-Lupinidine; (-)-Sparteine

Database IDs

• CAS Number: 90-39-1
• PubChem SID: 162043081
• PubChem CID: 15939859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.3671618
• LogD (pH = 7.4): -0.38936847
• Log P: 2.0278275
• Molar Refractivity: 71.823 cm^3
• Polarizability: 28.518066 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful