1-adamantyltrimethylammonium | SBID = 1676 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
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: C13H24N+
M / g/mol: 194.33636
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1-adamantyltrimethylammonium
  • Preferred Abbreviation: 1-adamantyltrimethylammonium
  • IUPAC Name:
  • CAS:
  • CID: -660
  • InChiKey: KKXBPUAYFJQMLN-UHFFFAOYSA-N
  • InChi: InChI=1S/C13H24N/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,4-9H2,1-3H3/q+1
  • CanoSmiles: C[N+](C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)(C)C
  • IsoSmiles: C[N+](C)(C)C12C[C@@H]3C[C@H](C1)C[C@H](C2)C3