Summary

IMPPAT Phytochemical identifier: IMPHY006217

Phytochemical name: N-Methyltryptamine

Synonymous chemical names:
n(b)-methyltryptamine

External chemical identifiers:
CID:6088, ChEMBL:CHEMBL348588, ChEBI:28136, ZINC:ZINC000001995685, FDASRS:6FRL4L3Z7V, SureChEMBL:SCHEMBL379409, MolPort-001-784-409

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Chemical structure information

SMILES:
CNCCc1c[nH]c2c1cccc2

InChI:
InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3

InChIKey:
NCIKQJBVUNUXLW-UHFFFAOYSA-N

DeepSMILES:
CNCCcc[nH]cc5cccc6

Functional groups:
CNC, c[nH]c

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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 Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple indole alkaloids

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Chemical structure download