Summary

IMPPAT Phytochemical identifier: IMPHY006316

Phytochemical name: N,N-Dimethyltryptamine

Synonymous chemical names:
dimethyltryptamine, n, n-dimethyltryptamine, n,n-dimethyl-tryptamine, n,n-dimethyltryptamine

External chemical identifiers:
CID:6089, ChEMBL:CHEMBL12420, ChEBI:28969, ZINC:ZINC000000897457, FDASRS:WUB601BHAA, SureChEMBL:SCHEMBL335710

---

Chemical structure information

SMILES:
CN(CCc1c[nH]c2c1cccc2)C

InChI:
InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3

InChIKey:
DMULVCHRPCFFGV-UHFFFAOYSA-N

DeepSMILES:
CNCCcc[nH]cc5cccc6)))))))))))C

Functional groups:
CN(C)C, c[nH]c

---

Molecular scaffolds

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

Scaffold Graph/Node level:
C1CCC2NCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

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

NP-Likeness score: -0.341

---

Chemical structure download