EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:5569 - iminoctadine

ChEBI IDCHEBI:5569
ChEBI Nameiminoctadine
Stars
DefinitionA member of the class of guanidines that is dioctylamine in which a hydrogen from each of the terminal methyl groups is replaced by a guanidino group. Once used as a fungicidal seed dressing, it is no longer approved for use in the European Union.
Last Modified18 September 2018
DownloadsMolfile
FormulaC18H41N7
Net Charge0
Average Mass355.575
Monoisotopic Mass355.34234
SMILESN=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N
InChIInChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
InChIKeyRONFGUROBZGJKP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
iminoctadine (CHEBI:5569) has role antifungal agrochemical (CHEBI:86328)
iminoctadine (CHEBI:5569) is a aliphatic nitrogen antifungal agent (CHEBI:86417)
iminoctadine (CHEBI:5569) is a guanidines (CHEBI:24436)
iminoctadine (CHEBI:5569) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
guazatine (CHEBI:82843) has part iminoctadine (CHEBI:5569)
IUPAC Name 
1,1'-(iminodioctane-8,1-diyl)diguanidine
Synonym  Source
GuazatineKEGG COMPOUND
Manual XrefsDatabases
C10997KEGG COMPOUND
GZZPDBeChem
iminoctadineAlan Wood's Pesticides
398PPDB
Registry NumbersSources
Reaxys:1995978Reaxys
CAS:13516-27-3KEGG COMPOUND
CAS:13516-27-3ChemIDplus