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CHEBI:145998 - N-(2-aminoethyl)-1-aziridine-ethanamine

ChEBI IDCHEBI:145998
ChEBI NameN-(2-aminoethyl)-1-aziridine-ethanamine
Stars
ASCII NameN-(2-aminoethyl)-1-aziridine-ethanamine
DefinitionA primary amino compound that is ethane-1,2-diamine in which the hydrogen on one of the amino groups is replaced by a 2-(aziridin-1-yl)ethyl group. It is a angiotensin-converting enzyme 2 (ACE2) inhibitor and a potential therapeutic agent for treating SARS coronavirus infections.
Last Modified23 April 2020
Submitteryingtliu
DownloadsMolfile
FormulaC6H15N3
Net Charge0
Average Mass129.207
Monoisotopic Mass129.12660
SMILESNCCNCCN1CC1
InChIInChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
InChIKeyXJNAQZHMIAKQOK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor  Any EC 3.4.17.* (metallocarboxypeptidase) inhibitor that inhibits the action of angiotensin-converting enzyme 2 (EC 3.4.17.23).
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) has functional parent diethylenetriamine (CHEBI:30629)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) has role anticoronaviral agent (CHEBI:149553)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) has role EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor (CHEBI:147289)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) is a aziridines (CHEBI:22681)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) is a primary amino compound (CHEBI:50994)
N-(2-aminoethyl)-1-aziridine-ethanamine (CHEBI:145998) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
N-[2-(aziridin-1-yl)ethyl]ethane-1,2-diamine
Synonyms  Source
N1-[2-(aziridin-1-yl)ethyl]ethane-1,2-diamineIUPAC
N-(2-aminoethyl)-1 aziridine-ethanamineChEBI
N1-(2-(1-aziridinyl)ethyl)-1,2-ethanediamineChEBI
N-(2-aminoethyl)-1-aziridineethanamineChemIDplus
N-(2-((2-aminoethyl)amino)ethyl)aziridineChemIDplus
Registry NumbersSources
CAS:23435-23-6ChemIDplus
Citations