(5r,7r)-5,7-dimethyl-2-(pyridin-4-yl)-1,3-diazatricyclo[3.3.1.13,7]decane

• ChemBase ID: 220446
• Molecular Formular: C15H21N3
• Molecular Mass: 243.34734
• Monoisotopic Mass: 243.17354769
• SMILES: N12C(N3C[C@](C1)(C[C@](C2)(C3)C)C)c1ccncc1
• Canonical SMILES: C[C@]12CN3C[C@@](C2)(CN(C1)C3c1ccncc1)C
• InChI: InChI=1S/C15H21N3/c1-14-7-15(2)10-17(8-14)13(18(9-14)11-15)12-3-5-16-6-4-12/h3-6,13H,7-11H2,1-2H3/t13?,14-,15+
• InChIKey: UHPMKINRRZZUNP-GOOCMWNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5r,7r)-5,7-dimethyl-2-(pyridin-4-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decane
• IUPAC Traditional name: (1r,5R,7S)-5,7-dimethyl-2-(pyridin-4-yl)-1,3-diazatricyclo[3.3.1.1^3,^7]decane

Database IDs

• PubChem SID: 164276356
• PubChem CID: 17572252

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1136757
• LogD (pH = 7.4): 1.8295271
• Log P: 1.8534181
• Molar Refractivity: 72.1087 cm^3
• Polarizability: 28.72245 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds