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COCONUT Compound

ETHYLAMINE

CNP0561286.0 · C2H7N · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameETHYLAMINE
IUPAC Nameethanamine
COCONUT IDCNP0561286.0
CAS75-04-7
InChIKeyQUSNBJAOOMFDIB-UHFFFAOYSA-N
InChIInChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
SMILESCCN

Properties

Molecular FormulaC2H7N
Molecular Weight45.08
Exact Mass45.05785
Log P (ALogP)-0.03
TPSA26.02
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness0.12

Classification

NP PathwayAmino acids and Peptides
NP Superclass
NP Class
Chemical SuperclassOrganic nitrogen compounds
Chemical ClassOrganonitrogen compounds
Chemical SubclassOrganonitrogen compounds

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (7)

  1. 10.1016/j.jchromb.2013.08.025
  2. 10.1021/JF00107A012
  3. 10.1021/NP50008A001
  4. 10.1021/ac900166a
  5. 10.1055/S-2006-958068
  6. 10.1515/BCHM2.1960.322.1.198
  7. 10.1681/ASN.2011121175

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.