AYE

prop-2-en-1-amine

Created:	2009-02-02
Last modified:	2024-10-08

Find Related PDB Entry
1 entries where AYE is found as a standalone ligand36 entries where AYE is covalently linked to polymer or other heterogen groups 23 entries where AYE is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	0
Bond Count	10
Aromatic Bond Count	0

2D diagram of AYE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	prop-2-en-1-amine
Synonyms	ALLYLAMINE
Systematic Name (OpenEye OEToolkits)	prop-2-en-1-amine
Formula	C₃ H₇ N
Molecular Weight	57.094
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	C=C\CN
SMILES	CACTVS	3.341	NCC=C
SMILES	OpenEye OEToolkits	1.5.0	C=CCN
Canonical SMILES	CACTVS	3.341	NCC=C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C=CCN
InChI	InChI	1.03	InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKey	InChI	1.03	VVJKKWFAADXIJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7853
ChEMBL	CHEMBL57286
CCDC/CSD	JAWKUN, UMAKOI, WEKZOF, WEKWOC01, WEKWOC

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.