D5D2+ | SBID = 2488 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 6.48
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.58
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: C17H34N4++
M / g/mol: 294.47866
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: D5D2+
  • Preferred Abbreviation: 1,1'-(pentane-1,5-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1080
  • InChiKey: VUPNTGHWYDSRNR-UHFFFAOYSA-N
  • InChi: InChI=1S/C17H34N4/c1(2-10-20-12-4-18(5-13-20)6-14-20)3-11-21-15-7-19(8-16-21)9-17-21/h1-17H2/q+2
  • CanoSmiles: C(CC[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2
  • IsoSmiles: N12CC[N+](CC2)(CCCCC[N+]34CCN(CC4)CC3)CC1