N-Butyladamantan-1-aminium | SBID = 964 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H26N+
M / g/mol: 208.36294
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: N-Butyladamantan-1-aminium
  • Preferred Abbreviation: N-Butyladamantan-1-aminium
  • IUPAC Name:
  • CAS:
  • CID: -304
  • InChiKey: BAJOPXDPTLCURP-UHFFFAOYSA-O
  • InChi: InChI=1S/C14H25N/c1-2-3-4-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3/p+1
  • CanoSmiles: CCCC[NH2+]C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
  • IsoSmiles: CCCC[NH2+]C1(C2)C[C@@H]3C[C@H](C1)C[C@H]2C3