<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 13:06:53 UTC</creation_date>
  <update_date>2026-04-04 13:06:53 UTC</update_date>
  <accession/>
  <common_name>N-Icosyldocosylamine</common_name>
  <class>SmallMolecule</class>
  <description>N-Icosyldocosylamine is an organic nitrogen compound with the chemical formula C42H87N1. N-Icosyldocosylamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. With an average molecular weight of 606.16 g/mol, N-Icosyldocosylamine is a heavy molecule. This compound has been identified in one recorded source, specifically within household cleaning and consumer products such as soap dispensers.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Docosanamine, N-eicosyl-</synonym>
    <synonym>230-686-9</synonym>
    <synonym>DOCOSYL(ICOSYL)AMINE</synonym>
    <synonym>N-Icosyl-1-docosanamine</synonym>
    <synonym>n-icosyldocosan-1-amine</synonym>
    <synonym>N-icosyldocosylamine</synonym>
  </synonyms>
  <chemical_formula>C42H87N1</chemical_formula>
  <average_molecular_weight>606.165</average_molecular_weight>
  <monisotopic_moleculate_weight>605.683852</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7268-58-8</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCC</smiles>
  <inchi>InChI=1S/C42H87N/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42H2,1-2H3</inchi>
  <inchikey>SDGDJTPRANMWBS-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>606.165</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>605.683852</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C42H87N1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C42H87N/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SDGDJTPRANMWBS-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <metabolism/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7273e40f10&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>81686</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>73707</chemspider_id>
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  <biocyc_id/>
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</compound>
