Ibogaminalog

Ibogaminalog

Molecular structure via molpic based on CDK

Rotamer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	200.28 g/mol [1]
Predicted LogP	2.4 [1]

Structural Identifiers []
Molecular formula	C13H16N2 [1]
IUPAC name	3-methyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole [1]
SMILES	CN1CCC2=C(CC1)NC3=CC=CC=C23 [1]
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 [1]
InChIKey	WBCPONKOWIDTJM-UHFFFAOYSA-N [1]

Ibogaminalog (also known as 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 or Dtxcid70148882) is a substance of the hexahydroazepinoindole class.

Chemistry