3,5-Dimethyladamantan-1-aminium | SBID = 459 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H22N+
M / g/mol: 180.31
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest
  • Name: 3,5-Dimethyladamantan-1-aminium
  • Preferred Abbreviation: 3,5-Dimethyladamantan-1-aminium
  • IUPAC Name: (1r,3R,5S,7r)-3,5-dimethyladamantan-1-aminium
  • CAS:
  • CID: -97
  • InChiKey: BUGYDGFZZOZRHP-CDECOKDKSA-O
  • InChi: InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/p+1/t9-,10+,11-,12-
  • CanoSmiles: [NH3+][C@]1(C2)C[C@@H]3C[C@@](C1)(C)C[C@@]2(C)C3
  • IsoSmiles: [NH3+][C@]1(C2)C[C@@H]3C[C@@](C1)(C)C[C@@]2(C)C3