N,N,N-trimethyladamantan-1-aminium iodide | SBID = 965 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C13H24IN
M / g/mol: 321.24083
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N,N,N-trimethyladamantan-1-aminium iodide
  • Preferred Abbreviation: N,N,N-trimethyladamantan-1-aminium iodide
  • IUPAC Name:
  • CAS:
  • CID: -305
  • InChiKey: WBARUWHVLQBVKM-UHFFFAOYSA-M
  • InChi: InChI=1S/C13H24N.HI/c1-14(2,3)13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12H,4-9H2,1-3H3;1H/q+1;/p-1
  • CanoSmiles: C[N+](C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)(C)C.[I-]
  • IsoSmiles: C[N+](C)(C)C1(C2)C[C@@H]3C[C@H](C1)C[C@H]2C3.[I-]