(5s,7s)-5-methyl-2-(propan-2-yl)-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

• ChemBase ID: 194365
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: [C@@]12(C(=O)[C@]3(CN(C(N(C1)C3)C(C)C)C2)CCC)C
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C3C(C)C)C
• InChI: InChI=1S/C15H26N2O/c1-5-6-15-9-16-7-14(4,13(15)18)8-17(10-15)12(16)11(2)3/h11-12H,5-10H2,1-4H3/t12?,14-,15+
• InChIKey: WRXLYTHVPBNHDG-LQDVMPOASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5s,7s)-5-methyl-2-(propan-2-yl)-7-propyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one
• IUPAC Traditional name: (1R,5R,7S)-2-isopropyl-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-one

Database IDs

• PubChem SID: 164250275
• PubChem CID: 752765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.386543
• LogD (pH = 7.4): 2.949813
• Log P: 3.2103581
• Molar Refractivity: 73.3994 cm^3
• Polarizability: 29.300245 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds