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

• ChemBase ID: 220113
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: N12C(N3C[C@@](C2)(C[C@](C3)(C1)C)C)c1oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)C1N2C[C@]3(CN1C[C@@](C2)(C3)C)C
• InChI: InChI=1S/C15H22N2O/c1-11-4-5-12(18-11)13-16-7-14(2)6-15(3,9-16)10-17(13)8-14/h4-5,13H,6-10H2,1-3H3/t13?,14-,15+
• InChIKey: CCJBLIFRXSRIIU-GOOCMWNKSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276023
• PubChem CID: 17571963

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5946897
• LogD (pH = 7.4): 2.3072367
• Log P: 2.3308985
• Molar Refractivity: 71.8062 cm^3
• Polarizability: 28.235989 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds