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N-benzyl-N,N-dimethylbutan-1-aminium | SBID = 2651 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 3.02
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: C13H22N+
M / g/mol: 192.32048
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-benzyl-N,N-dimethylbutan-1-aminium
  • Preferred Abbreviation: N-benzyl-N,N-dimethylbutan-1-aminium
  • IUPAC Name:
  • CAS:
  • CID: -1189
  • InChiKey: BOVNVPQGEJYOTR-UHFFFAOYSA-N
  • InChi: InChI=1S/C13H22N/c1-4-5-11-14(2,3)12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1
  • CanoSmiles: CCCC[N+](Cc1ccccc1)(C)C
  • IsoSmiles: C[N+](CCCC)(C)CC1=CC=CC=C1