N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium | SBID = 2457 | 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): 6.61
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: C24H36N+
M / g/mol: 338.54934
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium
  • Preferred Abbreviation: N-(4-(tert-butyl)benzyl)-1-(4-(tert-butyl)phenyl)-N,N-dimethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1053
  • InChiKey: DHBAOKWDXYCGGF-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H36N/c1-23(2,3)21-13-9-19(10-14-21)17-25(7,8)18-20-11-15-22(16-12-20)24(4,5)6/h9-16H,17-18H2,1-8H3/q+1
  • CanoSmiles: CC(c1ccc(cc1)C[N+](Cc1ccc(cc1)C(C)(C)C)(C)C)(C)C
  • IsoSmiles: C[N+](CC1=CC=C(C(C)(C)C)C=C1)(C)CC2=CC=C(C(C)(C)C)C=C2