A1ISO

n-heptylamine

Created:	2024-10-25
Last modified:	2025-01-22

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1 entries where A1ISO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of A1ISO

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Chemical Component Summary
Name	n-heptylamine
Synonyms	heptan-1-amine
Systematic Name (OpenEye OEToolkits)	heptan-1-amine
Formula	C₇ H₁₇ N
Molecular Weight	115.217
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCN
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCN
Canonical SMILES	CACTVS	3.385	CCCCCCCN
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCN
InChI	InChI	1.06	InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
InChIKey	InChI	1.06	WJYIASZWHGOTOU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	8127
ChEMBL	CHEMBL3561940
ChEBI	CHEBI:182628

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.