(5'R,7'S)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-amine

• ChemBase ID: 219803
• Molecular Formular: C15H27N3
• Molecular Mass: 249.39498
• Monoisotopic Mass: 249.22049788
• SMILES: [C@]12(C([C@@]3(CN(C4(N(C1)C3)CCCCC4)C2)C)N)C
• Canonical SMILES: NC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCCC1
• InChI: InChI=1S/C15H27N3/c1-13-8-17-10-14(2,12(13)16)11-18(9-13)15(17)6-4-3-5-7-15/h12H,3-11,16H2,1-2H3/t12?,13-,14+
• InChIKey: KWSSHNPZIBRXQM-AGUYFDCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5'R,7'S)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-amine
• IUPAC Traditional name: (5'S,7'R)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-amine

Database IDs

• PubChem SID: 164275713
• PubChem CID: 17571600

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5902064
• LogD (pH = 7.4): -0.7346131
• Log P: 1.6812395
• Molar Refractivity: 74.3444 cm^3
• Polarizability: 30.040268 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds