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

• ChemBase ID: 186892
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: [C@]12(C(=O)[C@@]3(CN(C(N(C1)C3)(C=C(C)C)C)C2)C)C
• Canonical SMILES: CC(=CC1(C)N2C[C@]3(CN1C[C@@](C2)(C3=O)C)C)C
• InChI: InChI=1S/C15H24N2O/c1-11(2)6-15(5)16-7-13(3)8-17(15)10-14(4,9-16)12(13)18/h6H,7-10H2,1-5H3/t13-,14+,15?
• InChIKey: DVZNVVCMMJZSBU-YIONKMFJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164242802
• PubChem CID: 846536

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6975853
• LogD (pH = 7.4): 2.741051
• Log P: 2.8005772
• Molar Refractivity: 74.538 cm^3
• Polarizability: 29.061657 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds