N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide | SBID = 1498 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 12
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: C11H28I2N2
M / g/mol: 442.16236
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: N1,N1,N1,N5,N5,N5-hexamethylpentane-1,5-diaminium iodide
  • Preferred Abbreviation: hexamethylpentane-1,5-diaminium iodide
  • IUPAC Name:
  • CAS:
  • CID: -575
  • InChiKey: SRFSMBZBBSVMKO-UHFFFAOYSA-L
  • InChi: InChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
  • CanoSmiles: C[N+](CCCCC[N+](C)(C)C)(C)C.[I-].[I-]
  • IsoSmiles: C[N+](C)(C)CCCCC[N+](C)(C)C.[I-].[I-]