Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008493

Phytochemical name: Dimethyltryptamine methiodide

Synonymous chemical names:
n-n-dimethyltryptamine methiodide

External chemical identifiers:
CID:CID_44719452, FDASRS:4H30M4UCL5

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Chemical structure information

SMILES:
C[N+](CCc1c[nH]c2c1cccc2)(C)C.[I-]

InChI:
InChI=1S/C13H19N2.HI/c1-15(2,3)9-8-11-10-14-13-7-5-4-6-12(11)13;/h4-7,10,14H,8-9H2,1-3H3;1H/q+1;/p-1

InChIKey:
UODGYRMDUSUFFD-UHFFFAOYSA-M

DeepSMILES:
C[N+]CCcc[nH]cc5cccc6)))))))))))C)C.[I-]

Functional groups:
C[N+](C)(C)C, c[nH]c, [I-]

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH]ccc2c1

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Tryptamines and derivatives

NP-Likeness score: 0.421

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Chemical structure download