3-methylbutan-1-aminium | SBID = 2510 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 35.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.97
Charge: 1.0
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: C5H14N+
M / g/mol: 88.17136
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 3-methylbutan-1-aminium
  • Preferred Abbreviation: 3-methylbutan-1-aminium
  • IUPAC Name:
  • CAS:
  • CID: -1092
  • InChiKey: BMFVGAAISNGQNM-UHFFFAOYSA-O
  • InChi: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3/p+1
  • CanoSmiles: [NH3+]CCC(C)C
  • IsoSmiles: [H][N+]([H])([H])CCC(C)C