<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-25 18:22:59 UTC</creation_date>
  <update_date>2026-08-19 16:48:00 UTC</update_date>
  <accession/>
  <common_name>Tripelennamine</common_name>
  <class>SmallMolecule</class>
  <description>Tripelennamine is an organic compound with the formula C16H21N3 and an average molecular weight of 255.36 g/mol. Tripelennamine belongs to the benzylamines, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is found in or released from seven recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically as antihistamines and antipruritics. It is also associated with electrical and electronic equipment, such as antennas and electrically stimulated smoking devices, as well as household cleaning and consumer products, including tobacco smoke filters and perfumes within detergents and soaps. Additionally, it is found in food contact materials used in food, food processing, and cookware. Recorded exposure routes for tripelennamine include oral, inhalation, topical, vaginal, and touch. Regarding its biological activity, one protein target is recorded: the compound acts as an antagonist of the Histamine H1 receptor (HRH1).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C16H21N3</chemical_formula>
  <average_molecular_weight>255.358</average_molecular_weight>
  <monisotopic_moleculate_weight>255.173547687</monisotopic_moleculate_weight>
  <iupac_name>N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine</iupac_name>
  <traditional_iupac>tripelennamine</traditional_iupac>
  <cas_registry_number>91-81-6</cas_registry_number>
  <smiles>CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1</smiles>
  <inchi>InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3</inchi>
  <inchikey>UFLGIAIHIAPJJC-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Benzylamines</sub_class>
    <direct_parent>2-benzylaminopyridines</direct_parent>
    <alternate_parents>
      <alternative_parent>Aminopyridines and derivatives</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Dialkylarylamines</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Imidolactams</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Trialkylamines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>2-benzylaminopyridine</substituent>
      <substituent>Amine</substituent>
      <substituent>Aminopyridine</substituent>
      <substituent>Aromatic heteromonocyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Dialkylarylamine</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Imidolactam</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Pyridine</substituent>
      <substituent>Tertiary aliphatic amine</substituent>
      <substituent>Tertiary amine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteromonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>aromatic amine</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Tripelennamine H1-Antihistamine Action</name>
      <smpdb_id>SMP0057587</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Tripelennamine Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0143231</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Tripelennamine H1 Antihistamine Smooth Muscle Relaxation Action Pathway</name>
      <smpdb_id>SMP0174897</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Tripelennamine H1-Antihistamine Blood Vessel Constriction Action Pathway</name>
      <smpdb_id>SMP0174989</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Tripelennamine H1-Antihistamine Immune Response Action Pathway</name>
      <smpdb_id>SMP0175081</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.05</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.95</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.84e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>8.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>255.358</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>255.173547687</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H21N3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UFLGIAIHIAPJJC-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>19.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>81.27</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>29.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</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:0x00007f3bf30de248&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB00792</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5587</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>5385</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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      <target_id>BE0000442</target_id>
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  </targets>
</compound>
