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

• ChemBase ID: 186926
• Molecular Formular: C14H24N2O
• Molecular Mass: 236.35316
• Monoisotopic Mass: 236.1888634
• SMILES: [C@@]12(C(=O)[C@@]3(CN(C1)CN(C3)C2)CCC)CCC
• Canonical SMILES: CCC[C@]12CN3CN(C1)C[C@](C2=O)(C3)CCC
• InChI: InChI=1S/C14H24N2O/c1-3-5-13-7-15-9-14(6-4-2,12(13)17)10-16(8-13)11-15/h3-11H2,1-2H3/t13-,14+
• InChIKey: OBYJZRPYMBBDNY-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242836
• PubChem CID: 535997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6444207
• LogD (pH = 7.4): 2.69338
• Log P: 2.7537658
• Molar Refractivity: 68.8739 cm^3
• Polarizability: 27.456505 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds