1-((3r,5r,7r)-adamantan-1-yl)-N,N,N-trimethylmethanaminium | SBID = 2431 | 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): 3.18
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: C14H26N+
M / g/mol: 208.36294
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-((3r,5r,7r)-adamantan-1-yl)-N,N,N-trimethylmethanaminium
  • Preferred Abbreviation: Adamatanyl trymethylmethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1032
  • InChiKey: RZRWCXZTEBCXHG-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H26N/c1-15(2,3)10-14-7-11-4-12(8-14)6-13(5-11)9-14/h11-13H,4-10H2,1-3H3/q+1
  • CanoSmiles: C[N+](CC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)(C)C
  • IsoSmiles: C[N+](C)(C)CC1(C2)C[C@@H](C[C@@H]2C3)C[C@@H]3C1