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

• ChemBase ID: 208493
• Molecular Formular: C14H26N2
• Molecular Mass: 222.36964
• Monoisotopic Mass: 222.20959884
• SMILES: N12CN3C[C@@](C1)(C[C@](C3)(C2)CCC)CCC
• Canonical SMILES: CCC[C@]12CN3CN(C1)C[C@](C2)(C3)CCC
• InChI: InChI=1S/C14H26N2/c1-3-5-13-7-14(6-4-2)10-15(8-13)12-16(9-13)11-14/h3-12H2,1-2H3/t13-,14+
• InChIKey: QXMFOSKFAOIOTH-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264403
• PubChem CID: 1784013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3339057
• LogD (pH = 7.4): 2.7449245
• Log P: 2.9091148
• Molar Refractivity: 68.1289 cm^3
• Polarizability: 27.410402 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds