Hexylamine (protonated form) | SBID = 681 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 8
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: C6H16N+
M / g/mol: 102.19794
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: Hexylamine (protonated form)
  • Preferred Abbreviation: Hexylammonium
  • IUPAC Name: Hexan-1-amine
  • CAS: 111-26-2
  • CID: -185
  • InChiKey: BMVXCPBXGZKUPN-UHFFFAOYSA-O
  • InChi: InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3/p+1
  • CanoSmiles: CCCCCC[NH3+]
  • IsoSmiles: [NH3+]CCCCCC