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

• ChemBase ID: 183500
• Molecular Formular: C10H18N2
• Molecular Mass: 166.26332
• Monoisotopic Mass: 166.14699859
• SMILES: N12CN3C[C@](C1)(C[C@](C2)(C3)C)C
• Canonical SMILES: C[C@]12CN3CN(C1)C[C@](C2)(C3)C
• InChI: InChI=1S/C10H18N2/c1-9-3-10(2)6-11(4-9)8-12(5-9)7-10/h3-8H2,1-2H3/t9-,10+
• InChIKey: NQXCSESBQRVSNS-AOOOYVTPSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239410
• PubChem CID: 869036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3178306
• LogD (pH = 7.4): 1.0032809
• Log P: 1.1308402
• Molar Refractivity: 49.7249 cm^3
• Polarizability: 20.026846 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds