<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:04:23 UTC</creation_date>
  <update_date>2026-08-19 08:05:32 UTC</update_date>
  <accession/>
  <common_name>N,N-Dimethyldodecylamine</common_name>
  <class>SmallMolecule</class>
  <description>N,N-Dimethyldodecylamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C14H31N and an average molecular weight of 213.41 g/mol. Industrially, it is utilized as an anti-static agent as well as a softener and conditioner.

The compound is present in 17 recorded sources across various environments. In the category of electrical and electronic equipment, it is found in electrodes, emergency protective devices, antennas, coils, and conductors or conductive bodies characterised by the conductive materials, among three others. It is identified in household cleaning and consumer products, including soap dispensers, soap detergents, bleaching agents, and perfumes within detergents and soaps. Within food, food processing, and cookware, it is associated with food preservation, fermentation processes for beer, and food contact materials. Additionally, it is found in drinking water and indoor air. Recorded exposure routes for this substance include oral, inhalation, and touch. Regarding plastics, N,N-Dimethyldodecylamine is present in polyamide and polyethylene terephthalate, while results are inconclusive for polyacrylonitrile and polypropylene.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Dodecanamine, N,N-dimethyl-</synonym>
    <synonym>Amines, C12-18-alkyldimethyl</synonym>
    <synonym>dodecyldimethylamine</synonym>
    <synonym>N,N-Dimethyldodecan-1-amine</synonym>
  </synonyms>
  <chemical_formula>C14H31N</chemical_formula>
  <average_molecular_weight>213.409</average_molecular_weight>
  <monisotopic_moleculate_weight>213.245650002</monisotopic_moleculate_weight>
  <iupac_name>dodecyldimethylamine</iupac_name>
  <traditional_iupac>N,N-dimethyldodecylamine</traditional_iupac>
  <cas_registry_number>112-18-5</cas_registry_number>
  <smiles>CCCCCCCCCCCCN(C)C</smiles>
  <inchi>InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3</inchi>
  <inchikey>YWFWDNVOPHGWMX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic nitrogen compounds</super_class>
    <class>Organonitrogen compounds</class>
    <sub_class>Amines</sub_class>
    <direct_parent>Trialkylamines</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Tertiary aliphatic amine</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>5.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.96</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.27</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.14e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>5.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>dodecyldimethylamine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>213.409</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>213.245650002</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCN(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H31N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YWFWDNVOPHGWMX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>3.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>70.67</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>30.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>11</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>8168</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>7876</chemspider_id>
  <kegg_id/>
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  <wikipidia/>
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</compound>
