Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43084
Common Name:	Tripelennamine
Systematic Name:	N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine
RefMet Name:	Tripelennamine
Synonyms:	[PubChem Synonyms]
Exact Mass:	255.1735 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C16H21N3
InChIKey:	UFLGIAIHIAPJJC-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Benzylamines [C0002673]
ClassyFire direct parent:	2-benzylaminopyridines [C0004802]
MoNA MS spectra:	View MS spectra
SMILES:	CN(C)CCN(Cc1ccccc1)c1ccccn1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5587
CHEBI ID:	331013
HMDB ID:	HMDB0014930
KEGG ID:	C07180
Chemspider ID:	5385
EPA CompTox DB:	DTXCID803717
Plant Metabolite Hub(Pmhub):	MS000002309

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y