(S)-(+)-1-Cyclohexylethylamine | SBID = 117 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 26.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.1
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 109.2
Sum Formula: C8H17N
M / g/mol: 127.231
Complexity: 74.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: (S)-(+)-1-Cyclohexylethylamine
  • Preferred Abbreviation: (S)-(+)-1-Cyclohexylethylamine
  • IUPAC Name: (1S)-1-cyclohexylethanamine
  • CAS: 17430-98-7
  • CID: 5325951
  • InChiKey: XBWOPGDJMAJJDG-ZETCQYMHSA-N
  • InChi: InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
  • CanoSmiles: CC(C1CCCCC1)N
  • IsoSmiles: C[C@@H](C1CCCCC1)N