(1s,3s,5s,7s)-N1,N1,N1,N3,N3,N3-hexamethyladamantane-1,3-diaminium | SBID = 2433 | 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): 2.27
Charge: 2.0
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: C16H32N2++
M / g/mol: 252.43868
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: (1s,3s,5s,7s)-N1,N1,N1,N3,N3,N3-hexamethyladamantane-1,3-diaminium
  • Preferred Abbreviation: hexamethyladamantane-1,3-diaminium
  • IUPAC Name:
  • CAS:
  • CID: -1034
  • InChiKey: BDTALFQYXJBXHL-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H32N2/c1-17(2,3)15-8-13-7-14(9-15)11-16(10-13,12-15)18(4,5)6/h13-14H,7-12H2,1-6H3/q+2
  • CanoSmiles: C[N+]([C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)[N+](C)(C)C)(C)C
  • IsoSmiles: C[N+]([C@]1(C2)C[C@@H](C[C@@H]2C3)C[C@]3([N+](C)(C)C)C1)(C)C