JFQ

trans-N-(3-aminopropyl)cyclohexane-1,4-diamine

Created:	2011-04-15
Last modified:	2011-06-04

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3 entries where JFQ is found as a standalone ligand

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

2D diagram of JFQ

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Chemical Component Summary
Name	trans-N-(3-aminopropyl)cyclohexane-1,4-diamine
Systematic Name (OpenEye OEToolkits)	N1-(3-azanylpropyl)cyclohexane-1,4-diamine
Formula	C₉ H₂₁ N₃
Molecular Weight	171.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(CCCN)C1CCC(N)CC1
SMILES	CACTVS	3.370	NCCCN[CH]1CC[CH](N)CC1
SMILES	OpenEye OEToolkits	1.7.0	C1CC(CCC1N)NCCCN
Canonical SMILES	CACTVS	3.370	NCCCN[C@@H]1CC[C@@H](N)CC1
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1CC(CCC1N)NCCCN
InChI	InChI	1.03	InChI=1S/C9H21N3/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,10-11H2/t8-,9-
InChIKey	InChI	1.03	QIMPCSMJRMPRJC-KYZUINATSA-N

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.