Molecule ID: 98888

IUPAC Name: N'-[2-(aziridin-1-yl)ethyl]ethane-1,2-diamine

Description: The molecule is a 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. It has a role as an EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor and an anticoronaviral agent. It is a member of aziridines, a secondary amino compound and a primary amino compound. It derives from a diethylenetriamine.

SMILES: NCCNCCN1CC1

SELFIES: [N][C][C][N][C][C][N][C][C][Ring1][Ring1]

InChI: InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: -1.3