(5'R,6'S,7'S)-5'-methyl-7'-propyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-ol

• ChemBase ID: 220239
• Molecular Formular: C16H28N2O
• Molecular Mass: 264.40632
• Monoisotopic Mass: 264.22016353
• SMILES: [C@@]12([C@@H]([C@]3(CN(C4(N(C1)C3)CCCC4)C2)CCC)O)C
• Canonical SMILES: CCC[C@]12CN3C[C@@]([C@@H]2O)(CN(C1)C13CCCC1)C
• InChI: InChI=1S/C16H28N2O/c1-3-6-15-11-17-9-14(2,13(15)19)10-18(12-15)16(17)7-4-5-8-16/h13,19H,3-12H2,1-2H3/t13-,14-,15+/m0/s1
• InChIKey: HZFDHVZNNSHPOO-SOUVJXGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5'R,6'S,7'S)-5'-methyl-7'-propyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol
• IUPAC Traditional name: (5'S,6'S,7'R)-5'-methyl-7'-propyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol

Database IDs

• PubChem SID: 164276149
• PubChem CID: 17572063

CALCULATED PROPERTIES

• Acid pKa: 14.16121
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.32839462
• LogD (pH = 7.4): 1.934185
• Log P: 2.2326899
• Molar Refractivity: 77.2879 cm^3
• Polarizability: 30.959875 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds