N1,N6-Bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-1,6-hexanediamine (CED0170596)

Record Information
Version1.0
Creation Date2026-03-31 18:45:04 UTC
Update Date2026-08-31 00:43:54 UTC
Accession NumberCHEM057286
Identification
Common NameN1,N6-Bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-1,6-hexanediamine
ClassSmall Molecule
Description
N1,N6-Bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-1,6-hexanediamine is an organic compound with the chemical formula C24H46N4O2 and an average molecular weight of 422.66 g/mol. N1,N6-Bis[2,2-dimethyl-3-(4-morpholinyl)propylidene]-1,6-hexanediamine belongs to the morpholines, a subclass of oxazinanes within the organic compounds. This compound has been found in or released from 19 recorded sources. These sources include aquatic systems and sediments, such as seawater, freshwater, surface water, and groundwater. It is also present in drinking water and water supply sources, specifically tap water, bottled water, desalinated water, and drinking water. Within the sectors of wastewater, sanitation, and biosolids, it is found in industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additionally, the compound is associated with marine, shipping, and aquaculture through bilge water and ballast water, as well as agriculture and land management via irrigation water. Other recorded sources include appliances, HVAC, and refrigerants, specifically water heaters and water coolers, along with two additional sectors. Recorded exposure routes for this compound include oral, inhalation, and touch.
Contaminant Type
  • PMT
Chemical Structure
SynonymsNot Available
Chemical FormulaC24H46N4O2
Average Molecular Mass422.658 g/mol
Monoisotopic Mass422.362 g/mol
CAS Registry Number1217271-49-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)(CN1CCOCC1)C=NCCCCCCN=CC(C)(C)CN1CCOCC1
InChI IdentifierInChI=1S/C24H46N4O2/c1-23(2,21-27-11-15-29-16-12-27)19-25-9-7-5-6-8-10-26-20-24(3,4)22-28-13-17-30-18-14-28/h19-20H,5-18,21-22H2,1-4H3
InChI KeyBVUYTWFHWBDUQZ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3092.0Log mg/kg[1700:5500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
3Irrigation waterAgriculture & land managementNot Available
27Water CoolersAppliances, HVAC & refrigerantsNot Available
43Water heatersAppliances, HVAC & refrigerantsNot Available
50GroundwaterAquatic systems & sedimentsNot Available
51Surface waterAquatic systems & sedimentsNot Available
52SeawaterAquatic systems & sedimentsNot Available
53FreshwaterAquatic systems & sedimentsNot Available
70Stormwater runoffAutomotive & urban infrastructureNot Available
88Waterproofing spraysBuilding & ConstructionNot Available
115Drinking waterDrinking water & water supplyNot Available
116Tap waterDrinking water & water supplyNot Available
117Bottled waterDrinking water & water supplyNot Available
118Desalinated waterDrinking water & water supplyNot Available
181Ballast waterMarine, shipping & aquacultureNot Available
182Bilge waterMarine, shipping & aquacultureNot Available
468Industrial wastewaterWastewater, sanitation & biosolidsNot Available
470Wastewater treatment effluentWastewater, sanitation & biosolidsNot Available
475Mine wastewaterWastewater, sanitation & biosolidsNot Available
477Wastewater, unspecifiedWastewater, sanitation & biosolidsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTumor necrosis factor receptor superfamily member 16Q9Z0W1Mus musculusPredicted (SEA)37.6012
Click to view 3D structurePlasma membrane ATPase 1P05030Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)136.08
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)6250.67
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)7277.19
Click to view 3D structureAcetyl-CoA carboxylaseQ3V4E6Zea maysPredicted (SEA)97.2337
Ras-related C3 botulinum toxin substrate 3 structureClick to view 3D structureRas-related C3 botulinum toxin substrate 3P60763HumansPredicted (SEA)133.044
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)2471.4
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)7343.28
Platelet-derived growth factor receptor alpha structureClick to view 3D structurePlatelet-derived growth factor receptor alphaP16234HumansPredicted (SEA)6862.8
Click to view 3D structureProstaglandin-H2 D-isomeraseO09114Mus musculusPredicted (SEA)628.399
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7446.98
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)7217.79
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)6107.04
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)7387.5
High affinity 3',5'-cyclic-AMP phosphodiesterase 7A structureClick to view 3D structureHigh affinity 3',5'-cyclic-AMP phosphodiesterase 7AQ13946HumansPredicted (SEA)4295.56
Platelet-derived growth factor receptor beta structureClick to view 3D structurePlatelet-derived growth factor receptor betaP09619HumansPredicted (SEA)7012.74
Proto-oncogene tyrosine-protein kinase receptor Ret structureClick to view 3D structureProto-oncogene tyrosine-protein kinase receptor RetP07949HumansPredicted (SEA)7238.03
Macrophage colony-stimulating factor 1 receptor structureClick to view 3D structureMacrophage colony-stimulating factor 1 receptorP07333HumansPredicted (SEA)7226.82
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)5133.38
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7573.95
Mast/stem cell growth factor receptor Kit structureClick to view 3D structureMast/stem cell growth factor receptor KitP10721HumansPredicted (SEA)7287.23
Click to view 3D structureNeuropeptide S receptorP0C0L6Rattus norvegicusPredicted (SEA)605.433
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)7520.78
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)7332.0
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)7395.05
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available