(3R,5S)-3,5-dimethyladamantan-1-amine;hydrochloride | SBID = 2599 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 26.0
Ertl TPSA/Å2: 26.02
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.08
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 2.0
3D Volume/Å3:
Sum Formula: C12H22ClN
M / g/mol: 215.76
Complexity: 240.0
Number of Conformers: 0.0

Identifiers

  • Tags:
  • Name: (3R,5S)-3,5-dimethyladamantan-1-amine;hydrochloride
  • Preferred Abbreviation: dimethyladamantan HCl
  • IUPAC Name: (3R,5S)-3,5-dimethyladamantan-1-amine;hydrochloride
  • CAS:
  • CID: 11229655
  • InChiKey: LDDHMLJTFXJGPI-LFPUEVJFSA-N
  • InChi: InChI=1S/C12H21N.ClH/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;/h9H,3-8,13H2,1-2H3;1H/t9?,10-,11+,12?;
  • CanoSmiles: CC12CC3CC(C1)(CC(C3)(C2)N)C.Cl
  • IsoSmiles: C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C.Cl