Details of the Drug

General Information of Drug (ID: DM2HYEN)

Drug Name

dimethylethylamine

Synonyms

N,N-DIMETHYLETHYLAMINE; 598-56-1; Dimethylethylamine; N,N-Dimethylethanamine; N-Ethyldimethylamine; Ethanamine, N,N-dimethyl-; Ethyldimethylamine; Ethylamine, N,N-dimethyl-; Methanamine, N-ethyl-N-methyl-; UNII-9N5384XVEM; HSDB 5712; EINECS 209-940-8; N,N-Dimethylethylamine, 99%; AI3-52225; 9N5384XVEM; DAZXVJBJRMWXJP-UHFFFAOYSA-N; C13-15-Alkyldimethylamines; Amines, C13-15-alkyldimethyl; dimethylaminoethane; dimethylethyl amine; EINECS 275-053-8; NEtMe2; NMe2Et; EtNMe2; n,n-dimethylaminoethane; PubChem10322; N,N-dimethyl-ethanamine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

73.14

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C4H11N
IUPAC Name: N,N-dimethylethanamine
Canonical SMILES: CCN(C)C
InChI: InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3
InChIKey: DAZXVJBJRMWXJP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11723
CAS Number: 598-56-1
TTD ID: D0S5DR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trace amine receptor 5 (TAAR5)	TTCO25G	TAAR5_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5523).
2	Trace amine-associated receptors and their ligands. Br J Pharmacol. 2006 Dec;149(8):967-78.