1-pentylpyridin-1-ium | SBID = 2450 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -3.19
Charge: 1.0
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: C10H16N+
M / g/mol: 150.24074
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-pentylpyridin-1-ium
  • Preferred Abbreviation: 1-pentylpyridin-1-ium
  • IUPAC Name:
  • CAS:
  • CID: -1047
  • InChiKey: HOZSKYZXBJWURK-UHFFFAOYSA-N
  • InChi: InChI=1S/C10H16N/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3/q+1
  • CanoSmiles: CCCCC[n+]1ccccc1
  • IsoSmiles: CCCCC[N+]1=CC=CC=C1