6-Azaniumylhexylazanium | SBID = 505 | Compound | Pubchem logo

Molecular Properties

Interactions: 7
PubChem TPSA/Å2: 55.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -0.2
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 101.0
Sum Formula: C6H18N2+2
M / g/mol: 118.22
Complexity: 31.0
Number of Conformers: 10.0

Identifiers

  • Tags: cation, typical guest, charged
  • Name: 6-Azaniumylhexylazanium
  • Preferred Abbreviation: 1,6-Hexandiammonium
  • IUPAC Name: 6-azaniumylhexylazanium
  • CAS:
  • CID: 1549137
  • InChiKey: NAQMVNRVTILPCV-UHFFFAOYSA-P
  • InChi: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/p+2
  • CanoSmiles: C(CCC[NH3+])CC[NH3+]
  • IsoSmiles: C(CCC[NH3+])CC[NH3+]