1-Heptylamine (fully protonated) | SBID = 685 | 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: 1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C7H18N+
M / g/mol: 116.22452
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: 1-Heptylamine (fully protonated)
  • Preferred Abbreviation: 1-Heptylammonium
  • IUPAC Name: 1-aminoheptane
  • CAS: 111-68-2
  • CID: -188
  • InChiKey: WJYIASZWHGOTOU-UHFFFAOYSA-O
  • InChi: InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3/p+1
  • CanoSmiles: CCCCCCC[NH3+]
  • IsoSmiles: CCCCCCC[NH3+]