1,3-Bis(trimethylaminio)adamantane | SBID = 283 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 0.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.3
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 200.3
Sum Formula: C16H32N2+2
M / g/mol: 252.446
Complexity: 312.0
Number of Conformers: 9.0

Identifiers

  • Tags: cation, typical guest, charged
  • Name: 1,3-Bis(trimethylaminio)adamantane
  • Preferred Abbreviation: Bis(trimethylaminio)adamantane
  • IUPAC Name: trimethyl-[3-(trimethylazaniumyl)-1-adamantyl]azanium
  • CAS:
  • CID: 101379195
  • 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)(C)C12CC3CC(C1)CC(C3)(C2)[N+](C)(C)C
  • IsoSmiles: C[N+](C)(C)C12CC3CC(C1)CC(C3)(C2)[N+](C)(C)C