N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | SBID = 1334 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
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: C8H18N2++
M / g/mol: 142.24192
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane
  • Preferred Abbreviation: N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane
  • IUPAC Name:
  • CAS:
  • CID: -474
  • InChiKey: SESBXFAPJKDPLA-UHFFFAOYSA-N
  • InChi: InChI=1S/C8H18N2/c1-9-3-6-10(2,7-4-9)8-5-9/h3-8H2,1-2H3/q+2
  • CanoSmiles: C[N+]12CC[N+](CC1)(CC2)C
  • IsoSmiles: C[N+]1(CC2)CC[N+]2(C)CC1