(5s,7r)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane

• ChemBase ID: 217837
• Molecular Formular: C15H26N2
• Molecular Mass: 234.38034
• Monoisotopic Mass: 234.20959884
• SMILES: N12[C@@H](N3C[C@](C1)(C[C@](C2)(C3)C)C)C1CCCC1
• Canonical SMILES: C[C@]12CN3C[C@@](C2)(CN(C1)[C@H]3C1CCCC1)C
• InChI: InChI=1S/C15H26N2/c1-14-7-15(2)10-16(8-14)13(17(9-14)11-15)12-5-3-4-6-12/h12-13H,3-11H2,1-2H3/t13-,14-,15+
• InChIKey: ZKHXDVJFFSPXFK-QKDCVEJESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7r)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decane
• IUPAC Traditional name: (1S,5R,7S)-2-cyclopentyl-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decane

Database IDs

• PubChem SID: 164273747
• PubChem CID: 16407828

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.43936232
• LogD (pH = 7.4): 2.2403553
• Log P: 2.9019814
• Molar Refractivity: 70.8522 cm^3
• Polarizability: 28.518066 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds