1,4-dihexyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium | SBID = 2426 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.55
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H38N2++
M / g/mol: 282.50772
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1,4-dihexyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium
  • Preferred Abbreviation: 1,4-dihexyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium
  • IUPAC Name:
  • CAS:
  • CID: -1027
  • InChiKey: HFIWUNMKIPMFFG-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H38N2/c1-3-5-7-9-11-19-13-16-20(17-14-19,18-15-19)12-10-8-6-4-2/h3-18H2,1-2H3/q+2
  • CanoSmiles: CCCCCC[N+]12CC[N+](CC1)(CC2)CCCCCC
  • IsoSmiles: CCCCCC[N+]1(CC2)CC[N+]2(CCCCCC)CC1