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

• ChemBase ID: 195928
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: N12C(N3C[C@@](C1)(C[C@](C3)(C2)C)C)c1occc1
• Canonical SMILES: C[C@]12CN3C[C@@](C2)(CN(C1)C3c1ccco1)C
• InChI: InChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3/t12?,13-,14+
• InChIKey: GJHIOQYKFOFHGN-AGUYFDCRSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251838
• PubChem CID: 907246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4512856
• LogD (pH = 7.4): 2.1111088
• Log P: 2.1313372
• Molar Refractivity: 66.6565 cm^3
• Polarizability: 26.469547 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