<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">74596</id>
  <title nil="true"/>
  <common-name>3,5-Diethyl-2-propylpyridine</common-name>
  <description>3,5-Diethyl-2-propylpyridine belongs to the pyridines and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C12H19N1 and an average molecular weight of 177.29 g/mol.</description>
  <cas>4808-75-7</cas>
  <pubchem-id>78531</pubchem-id>
  <chemical-formula>C12H19N1</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-04T02:01:46Z</created-at>
  <updated-at type="dateTime">2026-04-04T02:01:46Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCC1=C(CC)C=C(CC)C=N1</moldb-smiles>
  <moldb-formula>C12H19N1</moldb-formula>
  <moldb-inchi>InChI=1S/C12H19N/c1-4-7-12-11(6-3)8-10(5-2)9-13-12/h8-9H,4-7H2,1-3H3</moldb-inchi>
  <moldb-inchikey>SCJHPUGWYHCYAZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">177.291</moldb-average-mass>
  <moldb-mono-mass type="decimal">177.15175</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>70892</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM070489</chemdb-id>
  <dsstox-id>DTXSID30197412</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00031763</susdat-id>
  <iupac>3,5-diethyl-2-propylpyridine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0118603</sync-id>
  <structure-inchikey>SCJHPUGWYHCYAZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000040000000000000000000000000000000000002000000000000000000002000000000000000000000000000000000000000000000000000000000004000000020000000000000000000000000800000000020000000000000000000100400000000000000000000000020000000000000000040000000000000000000000000000000000000000000001000000000000002000000000004000000080000000000000000080000000000000000000100000000000000000000000000000000000000000000000200000020000000040100000000000000000040000040000000000002000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`�������`�������`������@(������@(�������`�������`������@h�������@(�������`�������`������@h�������@(�����������������h���������h���h��	�	
���h���h���h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:23:02Z</structure-indexed-at>
</compound>
