N,N-dibenzyl-N-methylethanaminium | SBID = 2479 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 3.63
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: C17H22N+
M / g/mol: 240.36328
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N,N-dibenzyl-N-methylethanaminium
  • Preferred Abbreviation: N,N-dibenzyl-N-methylethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1072
  • InChiKey: FVFWICRKDMTBSF-UHFFFAOYSA-N
  • InChi: InChI=1S/C17H22N/c1-3-18(2,14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3/q+1
  • CanoSmiles: CC[N+](Cc1ccccc1)(Cc1ccccc1)C
  • IsoSmiles: C[N+](CC1=CC=CC=C1)(CC)CC2=CC=CC=C2