{"Abbreviation":[],"Aliases":["Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-","3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole","7546-66-9","Brn 0958568","AZEPINO(4,5-b)INDOLE, 1,2,3,4,5,6-HEXAHYDRO-3-METHYL-","1,2,3,4,5,6-Hexahydro-3-methylazepino(4,5-b)indole","3-Methyl-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole","Dtxsid70226391","5-23-07-00376","Dtxcid70148882","Schembl8260736","Mfcd01665282","Akos027421043","F95491","3-methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole"],"CAS":"7546-66-9","ChemicalClasses":["hexahydroazepinoindole"],"Chirality":"achiral","Esters":[],"Formating":[],"HeavyAtomCount":15,"IUPACName":"3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole","InChI":"InChI=1S/C13H16N2/c1-15-8-6-11-10-4-2-3-5-12(10)14-13(11)7-9-15/h2-5,14H,6-9H2,1H3","InChIKey":"WBCPONKOWIDTJM-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003e","MolecularWeight":"200.28 g/mol","PubChemId":24183,"RefChem":"320296","RefCount":2,"RefCur":"","References":[{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q83105797","Name":"Ibogaminalog","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/24183","Name":"Ibogaminalog","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=7546-66-9","Name":"Ibogaminalog","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID70226391","Name":"Ibogaminalog","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 24183, Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-3-methyl-. Accessed February 11, 2026. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/24183\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/24183\u003c/a\u003e"],"SMILES":"CN1CCC2=C(CC1)NC3=CC=CC=C23","SaltData":[],"Salts":[],"StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 95.71 47.063\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h96v48H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m94.709 7.361-11.222 3.646M77.306 9.028l-7.623-7.973M69.683 1.055 54.504 2.421M54.504 2.421 46.108 15.14\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m50.818 29.634-4.71-14.494M47.951 28.703l-3.614-11.125\"/\u003e\u003c/g\u003e\u003cpath d=\"m50.818 29.634 14.268 5.355M65.086 34.989l13.083-7.817M79.695 15.908l-1.526 11.264M50.818 29.634l-9.256 6.725M35.415 36.359l-9.256-6.725\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m11.252 32.803 14.907-3.169M12.122 30.125l12.153-2.583\"/\u003e\u003c/g\u003e\u003cpath d=\"M11.252 32.803 1.054 21.477\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m5.764 6.983-4.71 14.494M7.648 9.075l-3.84 11.817\"/\u003e\u003c/g\u003e\u003cpath d=\"m5.764 6.983 14.907-3.169\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M30.868 15.14 20.671 3.814M28.114 15.725l-8.313-9.233\"/\u003e\u003c/g\u003e\u003cpath d=\"M46.108 15.14h-15.24M26.159 29.634l4.709-14.494\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M82.155 14.52h-.72l-2.62-4.066h-.029l.029.595q.024.358.024.733v2.738h-.565V9.621h.714l2.608 4.054h.029l-.018-.328-.023-.476q-.006-.262-.006-.482V9.621h.577z\" class=\"atom\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M40.429 41.042h-.72l-2.62-4.066h-.029l.029.595q.024.357.024.732v2.739h-.565v-4.9h.714l2.607 4.054h.03l-.018-.327q-.012-.22-.023-.476-.006-.262-.006-.483v-2.768h.577zM40.292 46.503h-.619v-2.286h-2.512v2.286h-.613v-4.9h.613v2.072h2.512v-2.072h.619z\"/\u003e\u003c/g\u003e\u003cpath stroke=\"#3050f8\" d=\"m83.487 11.007 5.611-1.823M77.306 9.028l-3.811-3.986M79.695 15.908l-.763 5.632M41.562 36.359l4.628-3.363M35.415 36.359l-4.628-3.363\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Ibogaminalog","Wikidata":"Q83105797","XLogP":2.4}