2,4-dimethylpyrrolidine (CED0194106)

Record Information
Version1.0
Creation Date2026-08-23 06:37:52 UTC
Update Date2026-08-23 06:37:52 UTC
Accession NumberCHEM228616
Identification
Common Name2,4-dimethylpyrrolidine
ClassSmall Molecule
Description
2,4-dimethylpyrrolidine (C6H13N) is an organic compound with an average molecular weight of 99.17 g/mol. 2,4-dimethylpyrrolidine belongs to the pyrrolidines, a class of organoheterocyclic compounds within the organic compounds. This substance has been identified in or released from two recorded sources, specifically household cleaning and consumer products, including pipe accessories and other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H13N
Average Molecular Mass99.170 g/mol
Monoisotopic Mass99.105 g/mol
CAS Registry Number13603-04-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H13N/c1-5-3-6(2)7-4-5/h5-7H,3-4H2,1-2H3
InChI KeyDUOJVRWFIHNZTJ-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
259.0Log mg/kg[150:460]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSpermidine synthaseQ6QA75Sus scrofaPredicted (SEA)0.622794
Click to view 3D structureSpermidine synthaseQ4CXJ6Trypanosoma cruzi (strain CL Brener)Predicted (SEA)0.622794
Click to view 3D structureSpermidine synthaseQ9NFS5Plasmodium falciparumPredicted (SEA)0.622794
Click to view 3D structurePlasma alpha-L-fucosidaseQ9BTY2HumansPredicted (SEA)2.72472
Click to view 3D structureAlpha-galactosidase CQ9UUZ4Aspergillus nigerPredicted (SEA)6.61718
Tissue alpha-L-fucosidase structureClick to view 3D structureTissue alpha-L-fucosidaseP04066HumansPredicted (SEA)19.0731
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)84.2329
Click to view 3D structureBeta-hexosaminidaseQ9HZK0Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)39.781
Click to view 3D structureTissue alpha-L-fucosidaseQ2KIM0Bos taurusPredicted (SEA)6.77288
Click to view 3D structureAlpha-galactosidaseQ42656Coffea arabicaPredicted (SEA)135.146
Lysosomal alpha-glucosidase structureClick to view 3D structureLysosomal alpha-glucosidaseP10253HumansPredicted (SEA)314.822
Click to view 3D structureBeta-galactosidaseP29853Aspergillus nigerPredicted (SEA)25.7681
Click to view 3D structureAlpha-galactosidaseQ5DUH8Coffea arabicaPredicted (SEA)17.1268
Click to view 3D structureNeutral alpha-glucosidase CQ8BVW0Mus musculusPredicted (SEA)10.1982
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7740.47
Sucrase-isomaltase, intestinal structureClick to view 3D structureSucrase-isomaltase, intestinalP14410HumansPredicted (SEA)337.866
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P36544HumansPredicted (SEA)7355.9
Cytosolic beta-glucosidase structureClick to view 3D structureCytosolic beta-glucosidaseQ9H227HumansPredicted (SEA)51.3805
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7741.95
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)7722.64
Click to view 3D structureBeta-lactamase OXA-48Q6XEC0Klebsiella pneumoniaePredicted (SEA)102.138
Click to view 3D structureGlutamate receptor ionotropic, kainate 4Q01812Rattus norvegicusPredicted (SEA)52.6261
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7755.5
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)7737.67
Click to view 3D structureTrehalaseO70282Rattus norvegicusPredicted (SEA)14.4021
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available