(5'r,7'r)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decane]

• ChemBase ID: 182942
• Molecular Formular: C15H26N2
• Molecular Mass: 234.38034
• Monoisotopic Mass: 234.20959884
• SMILES: N12C3(N4C[C@](C1)(C[C@](C2)(C4)C)C)CCCCC3
• Canonical SMILES: C[C@]12CN3C[C@@](C2)(CN(C1)C13CCCCC1)C
• InChI: InChI=1S/C15H26N2/c1-13-8-14(2)11-16(9-13)15(17(10-13)12-14)6-4-3-5-7-15/h3-12H2,1-2H3/t13-,14+
• InChIKey: UJVICOCWFKMUBX-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5'r,7'r)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]
• IUPAC Traditional name: (5'S,7'R)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]

Database IDs

• PubChem SID: 164238852
• PubChem CID: 928153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.27370575
• LogD (pH = 7.4): 2.1012037
• Log P: 2.863025
• Molar Refractivity: 71.3254 cm^3
• Polarizability: 28.518066 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds