N-benzyl-N,N-dimethylhexan-1-aminium | SBID = 2660 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.11
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: C15H26N+
M / g/mol: 220.37364
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: N-benzyl-N,N-dimethylhexan-1-aminium
  • Preferred Abbreviation: N-benzyl-N,N-dimethylhexan-1-aminium
  • IUPAC Name:
  • CAS:
  • CID: -1196
  • InChiKey: OCRHPUCRAFNCMN-UHFFFAOYSA-N
  • InChi: InChI=1S/C15H26N/c1-4-5-6-10-13-16(2,3)14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1
  • CanoSmiles: CCCCCC[N+](Cc1ccccc1)(C)C
  • IsoSmiles: C[N+](CCCCCC)(C)CC1=CC=CC=C1