1,4-bis(trimethyl-l4-azaneyl)cyclohexane | SBID = 1493 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H28I2N2
M / g/mol: 454.17306
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 1,4-bis(trimethyl-l4-azaneyl)cyclohexane
  • Preferred Abbreviation: (trimethyl-azaneyl)cyclohexane
  • IUPAC Name:
  • CAS:
  • CID: -570
  • InChiKey: OHGACIQJQGTBFE-UHFFFAOYSA-L
  • InChi: InChI=1S/C12H28N2.2HI/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;;/h11-12H,7-10H2,1-6H3;2*1H/q+2;;/p-2
  • CanoSmiles: C[N+]([C@@H]1CC[C@H](CC1)[N+](C)(C)C)(C)C.[I-].[I-]
  • IsoSmiles: C[N+](C)(C)[C@H]1CC[C@H]([N+](C)(C)C)CC1.[I-].[I-]