GXQ

N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine

Created:	2018-10-19
Last modified:	2019-10-30

Find Related PDB Entry
1 entries where GXQ is found as a standalone ligand

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	44
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	0

2D diagram of GXQ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine
Systematic Name (OpenEye OEToolkits)	~{N}1,~{N}4-bis(3-azanylpropyl)cyclohexane-1,4-diamine
Formula	C₁₂ H₂₈ N₄
Molecular Weight	228.378
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCCN[CH]1CC[CH](CC1)NCCCN
SMILES	OpenEye OEToolkits	2.0.6	C1CC(CCC1NCCCN)NCCCN
Canonical SMILES	CACTVS	3.385	NCCCN[C@@H]1CC[C@H](CC1)NCCCN
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CC(CCC1NCCCN)NCCCN
InChI	InChI	1.03	InChI=1S/C12H28N4/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h11-12,15-16H,1-10,13-14H2/t11-,12-
InChIKey	InChI	1.03	PYBOSIQOXDJMFB-HAQNSBGRSA-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.