Q9C

N-{4-[(3-aminopropyl)amino]butyl}acetamide

Created:	2011-02-16
Last modified:	2020-06-05

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2 entries where Q9C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

2D diagram of Q9C

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Chemical Component Summary
Name	N-{4-[(3-aminopropyl)amino]butyl}acetamide
Synonyms	N8-acetylspermidine
Systematic Name (OpenEye OEToolkits)	N-[4-(3-azanylpropylamino)butyl]ethanamide
Formula	C₉ H₂₁ N₃ O
Molecular Weight	187.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCCCNCCCN)C
SMILES	CACTVS	3.370	CC(=O)NCCCCNCCCN
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)NCCCCNCCCN
Canonical SMILES	CACTVS	3.370	CC(=O)NCCCCNCCCN
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(=O)NCCCCNCCCN
InChI	InChI	1.03	InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
InChIKey	InChI	1.03	FONIWJIDLJEJTL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	123689
ChEMBL	CHEMBL78630
ChEBI	CHEBI:27911

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.