N,N'-Dimethyltryptamine

HCID 37796

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Basic information

CAS: 37637-29-9
Standard SMILES: CNCCc1cn(C)c2ccccc12
InChIKey: XUCUSHRCIKFRCK-UHFFFAOYSA-N
Molecular formula: C12H16N2
Average molar mass: 188.27 g/mol
Monoisotopic mass: 188.13134852

Overview

Indole, 3-(2-(methylamino)ethyl)-1-methyl- has been reported in Phalaris aquatica, Chimonanthus praecox, and Phalaris coerulescens with data available.

Names & identifiers

Preferred name: N,N'-Dimethyltryptamine
IUPAC: N-methyl-2-(1-methylindol-3-yl)ethanamine

Names & synonyms

37637-29-9INDOLE, 3-(2-(METHYLAMINO)ETHYL)-1-METHYL-N,N'-dimethyltryptamineDTXSID90191072N-methyl-2-(1-methylindol-3-yl)ethanamineRefChem:1090286DTXCID00113563methyl[2-(1-methyl-1H-indol-3-yl)ethyl]amineBRN 01459303-(2-(Methylamino)ethyl)-1-methylindoleSCHEMBL3257855CHEMBL2036785

Show more names

AKOS013786341EN300-1842542N-Methyl-2-(1-methyl-1H-indol-3-yl)ethan-1-amine

Database identifiers

CAS: 37637-29-9
PubChem CID: 37796
DTXSID: DTXSID90191072
ChEMBL: CHEMBL2036785
Nikkaji: J2.487.809K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 17 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 181

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Compound notes

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