N-benzyl-N,N-dimethylpentan-1-aminium | SBID = 2659 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 3.57
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: C14H24N+
M / g/mol: 206.34706
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-benzyl-N,N-dimethylpentan-1-aminium
  • Preferred Abbreviation: N-benzyl-N,N-dimethylpentan-1-aminium
  • IUPAC Name:
  • CAS:
  • CID: -1195
  • InChiKey: KALNWMTTXALKNK-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H24N/c1-4-5-9-12-15(2,3)13-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3/q+1
  • CanoSmiles: CCCCC[N+](Cc1ccccc1)(C)C
  • IsoSmiles: C[N+](CCCCC)(C)CC1=CC=CC=C1