289627 <common-name>1-(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-n-methylmethanamine</common-name> <description>1-(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-n-methylmethanamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the formula C13H22N2S and an average molecular weight of 238.39 g/mol. This compound is further classified as an organic nitrogen compound.</description> <cas nil="true"/> <pubchem-id>3059969</pubchem-id> <chemical-formula>C13H22N2S</chemical-formula> <weight>238.39</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">2026-08-28T03:09:43Z</created-at> <updated-at type="dateTime">2026-08-28T03:09:43Z</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>CCCCC1=NC2=C(S1)CCC(C2)CNC</moldb-smiles> <moldb-formula>C13H22N2S</moldb-formula> <moldb-inchi>InChI=1S/C13H22N2S/c1-3-4-5-13-15-11-8-10(9-14-2)6-7-12(11)16-13/h10,14H,3-9H2,1-2H3</moldb-inchi> <moldb-inchikey>UKIGHVSLNMIODZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">238.1503699</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM285520</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>1-(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)-n-methylmethanamine</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>CED0241311</sync-id> <structure-inchikey>UKIGHVSLNMIODZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000004002000000000800210000020000000002020000000000000010000000000000002000000000200000000002000000000000000000000000000000000000000000000000000010000000000000000000010100000000000000000000000000020000000000000000000000000000000020000000000010000000000100000000040000000000000020000000080000000000000000000001000000000000000000004000000000000080000000000020000000000000000000000000000010000002000000800000000000000000000000000000000200000000000000400000000100001000000000000010000000008000000000010000000200000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQCgA AAADBBBAKAAAAAMCBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIG AGAAAAACAgcAYAAAAAIBBgBgAAAAAQMLAAEAAQIAAgMAAwQABAVoDAUGaAwG B2gMBwhoDAcJAAkKAAoLAAsMAAsNAA0OAA4PAAgEaAwMBgBCAgAAAAUEBQYH CAYJCgsMBgcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:02:28Z</structure-indexed-at> </compound>