(5s,7s)-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 219216
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)C)C2)C)C
• Canonical SMILES: CC1N2C[C@@]3(CN1C[C@](C2)(C3=O)C)C
• InChI: InChI=1S/C11H18N2O/c1-8-12-4-10(2)5-13(8)7-11(3,6-12)9(10)14/h8H,4-7H2,1-3H3/t8?,10-,11+
• InChIKey: XLBNMKPALMXLIY-UQPYNNQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1r,5R,7S)-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164275126
• PubChem CID: 16409130

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.022739021
• LogD (pH = 7.4): 1.1335418
• Log P: 1.2050241
• Molar Refractivity: 55.3122 cm^3
• Polarizability: 21.928272 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds