<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:53:15 UTC</creation_date>
  <update_date>2026-08-23 07:37:18 UTC</update_date>
  <accession/>
  <common_name>Dimethylbutylamine</common_name>
  <class>SmallMolecule</class>
  <description>Dimethylbutylamine is an organic nitrogen compound with the chemical formula C6H15N and an average molecular weight of 101.19 g/mol. Dimethylbutylamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds.

This compound has been identified in or released from eight recorded sources. Within the category of electrical and electronic equipment, it is associated with amplifiers, antennas, radio transmission systems, fixed capacitors and their manufacture, and hybrid capacitors. It is also found in household cleaning and consumer products, specifically within soap detergents and perfumes used in detergents and soaps. Additionally, it has been recorded in drinking water and water supply systems. Regarding human interaction with the substance, the recorded exposure route is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>butyldimethylamine</synonym>
    <synonym>N,N-Dimethylbutylamine</synonym>
    <synonym>N,N-dimethylbutylamine</synonym>
  </synonyms>
  <chemical_formula>C6H15N</chemical_formula>
  <average_molecular_weight>101.193</average_molecular_weight>
  <monisotopic_moleculate_weight>101.120449487</monisotopic_moleculate_weight>
  <iupac_name>butyldimethylamine</iupac_name>
  <traditional_iupac>dimethylbutylamine</traditional_iupac>
  <cas_registry_number>927-62-8</cas_registry_number>
  <smiles>CCCCN(C)C</smiles>
  <inchi>InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3</inchi>
  <inchikey>DJEQZVQFEPKLOY-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>
      <descriptor>tertiary amine</descriptor>
    </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>1.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.76</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>8.25e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.51</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>butyldimethylamine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>101.193</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>101.120449487</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCN(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H15N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DJEQZVQFEPKLOY-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>33.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>13.59</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>3</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/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7281b08718&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>13563</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>12974</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
