Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:


View large 3D structure

Molecular Formula: C19H42N+

Natural Isotopic Abundance Mass: 284.54348

Mono-Isotopic Molecular Masses:

  • C12N14: 284.3317253534
  • C13N14: 303.3954672716
  • C12N15: 285.3287602466
  • C13N15: 304.3925021648

InChI string: InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1

PubChem Compound (CID): 2681
CAS Registry number: 6899-10-1
ChEBI: CHEBI:39561
ChemSpider: 13888082
KEGG Compound ID: D07664
NMRShiftDB: 20097206
PDB Compound ID: 16A

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,