<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359237</id>
  <title nil="true"/>
  <common-name>N,n-di(octadecan-9-yl)octadecan-9-amine</common-name>
  <description>N,n-di(octadecan-9-yl)octadecan-9-amine is a chemical compound with the formula C54H111N. With an average molecular weight of 774.50 g/mol, N,n-di(octadecan-9-yl)octadecan-9-amine is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>45382229</pubchem-id>
  <chemical-formula>C54H111N</chemical-formula>
  <weight>774.5</weight>
  <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">2026-09-01T07:11:38Z</created-at>
  <updated-at type="dateTime">2026-09-01T07:11:38Z</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>CCCCCCCCCC(CCCCCCCC)N(C(CCCCCCCC)CCCCCCCCC)C(CCCCCCCC)CCCCCCCCC</moldb-smiles>
  <moldb-formula>C54H111N</moldb-formula>
  <moldb-inchi>InChI=1S/C54H111N/c1-7-13-19-25-31-37-43-49-52(46-40-34-28-22-16-10-4)55(53(47-41-35-29-23-17-11-5)50-44-38-32-26-20-14-8-2)54(48-42-36-30-24-18-12-6)51-45-39-33-27-21-15-9-3/h52-54H,7-51H2,1-6H3</moldb-inchi>
  <moldb-inchikey>WDGDITYEVDXFGO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">773.8716525</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>25.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM355130</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>N,n-di(octadecan-9-yl)octadecan-9-amine</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309451</sync-id>
  <structure-inchikey>WDGDITYEVDXFGO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000040000000000000800000020000000000000000000000000000000000000000000002000000000000000000000000000000000000001000000000000000000000000000000000010000000000000000000000000000000000001000000000000020000000000000000000004000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000000000104000000000000000000000000000000000000008000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA3AAAANgAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA
AAACAgYAYAAAAAICBgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG
AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAEDBwAgAAAA
AwYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA
AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIG
AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAA
AgIGAGAAAAABAwYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBg
AAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwYAYAAAAAIC
BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA
AAICBgBgAAAAAgIGAGAAAAABAwsAAQABAgACAwADBAAEBQAFBgAGBwAHCAAI
CQAJCgAKCwALDAAMDQANDgAODwAPEAAQEQAJEgASEwATFAAUFQAVFgAWFwAX
GAAYGQAZGgAaGwATHAAcHQAdHgAeHwAfIAAgIQAhIgAiIwAjJAASJQAlJgAm
JwAnKAAoKQApKgAqKwArLAAsLQAlLgAuLwAvMAAwMQAxMgAyMwAzNAA0NQA1
NgBCAAAAABcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:56:46Z</structure-indexed-at>
</compound>
