45752 <common-name>2-[(dimethylamino)methyl]cyclohexanone</common-name> <description>2-[(dimethylamino)methyl]cyclohexanone is an organic nitrogen compound with the formula C9H17NO and an average molecular weight of 155.24 g/mol. 2-[(dimethylamino)methyl]cyclohexanone belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This substance has been found in or released from one recorded source, which is drinking water and water supply. The recorded exposure route for this compound is oral.</description> <cas>15409-60-6</cas> <pubchem-id>85838</pubchem-id> <chemical-formula>C9H17NO</chemical-formula> <weight>155.24</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">2016-06-03T12:26:56Z</created-at> <updated-at type="dateTime">2026-08-25T14:19:39Z</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>CN(C)CC1CCCCC1=O</moldb-smiles> <moldb-formula>C9H17NO</moldb-formula> <moldb-inchi>InChI=1S/C9H17NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8H,3-7H2,1-2H3</moldb-inchi> <moldb-inchikey>QDHLEFBSGUGHCL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">155.241</moldb-average-mass> <moldb-mono-mass type="decimal">155.131014171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77426</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>CHEM044647</chemdb-id> <dsstox-id>DTXSID801283556</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006627</stoff-ident-id> <susdat-id>NS00011448</susdat-id> <iupac>2-[(dimethylamino)methyl]cyclohexan-1-one</iupac> <moldb-polar-surface-area>20.310000000000002</moldb-polar-surface-area> <moldb-refractivity>46.32340000000001</moldb-refractivity> <moldb-polarizability>18.424122750363626</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.161070859704957</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>8.803938468645947</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.14</moldb-alogps-logp> <moldb-alogps-logs>-0.13</moldb-alogps-logs> <moldb-alogps-solubility>1.15e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer">3</paper-count> <sync-id>CED0048889</sync-id> <structure-inchikey>QDHLEFBSGUGHCL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000020000000010220000000000000200000000000000000000000000000000000000000000000000000000000000000000028000000000000000000000000000000000000000000002000000000004020000000020100000000000000000000100800000040001000000000800000000000100000000000000000000000000000000000000004000000000000080000000000000000000000000000000000000000000000000000000010000000000000000000000000000000200000100000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCwABAAECAAEDAAMEAAQFAAUG AAYHAAcIAAgJAAkKCAIJBABCAQAAAAYECQgHBgUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:12:56Z</structure-indexed-at> </compound>