N-methylpyrrolidin-2-imine (CED0309749)

Record Information
Version1.0
Creation Date2026-09-01 07:41:56 UTC
Update Date2026-09-01 07:41:56 UTC
SynCED IDCED0309749
Secondary Accession Numbers
  • CHEM355431
Identification
Common NameN-methylpyrrolidin-2-imine
ClassSmall Molecule
Description
N-methylpyrrolidin-2-imine is a chemical compound with the formula C5H10N2. It has an average molecular weight of 98.15 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H10N2
Average Molecular MassNot Available
Monoisotopic Mass98.084 g/mol
CAS Registry Number872-54-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN=C1CCCN1
InChI IdentifierInChI=1S/C5H10N2/c1-6-5-3-2-4-7-5/h2-4H2,1H3,(H,6,7)
InChI KeyLSAWFHNFIJBGMR-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
274.0 Log mg/kg [150:490]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
5-hydroxytryptamine receptor 1D structureClick to view 3D structure5-hydroxytryptamine receptor 1DP28221HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.194 Low confidence
Statistical Significance
0.9711
Supporting Reference Compounds
365
E-value
7559.78
Nischarin structureClick to view 3D structureNischarinQ9Y2I1HumansPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.194 Low confidence
Statistical Significance
0.4364
Supporting Reference Compounds
37
E-value
3397.5
Click to view 3D structureNischarinQ4G017Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.194 Low confidence
Statistical Significance
0.1405
Supporting Reference Compounds
18
E-value
1093.63
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.191 Low confidence
Statistical Significance
0.9578
Supporting Reference Compounds
234
E-value
7456.79
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.194 Low confidence
Statistical Significance
0.979
Supporting Reference Compounds
337
E-value
7621.36
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9948
Supporting Reference Compounds
955
E-value
7744.44
Poly [ADP-ribose] polymerase 1 structureClick to view 3D structurePoly [ADP-ribose] polymerase 1P09874HumansPredicted (SEA)
Prediction Confidence Score
0.147
Applicability Domain
0.184 Low confidence
Statistical Significance
0.9461
Supporting Reference Compounds
146
E-value
7365.55
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9946
Supporting Reference Compounds
823
E-value
7742.81
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.167 Low confidence
Statistical Significance
0.995
Supporting Reference Compounds
686
E-value
7745.92
Protein mono-ADP-ribosyltransferase PARP10 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP10Q53GL7HumansPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.184 Low confidence
Statistical Significance
0.8829
Supporting Reference Compounds
52
E-value
6873.07
Fibroblast growth factor 23 structureClick to view 3D structureFibroblast growth factor 23Q9GZV9HumansPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.143 Low confidence
Statistical Significance
0.016
Supporting Reference Compounds
1
E-value
124.325
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)
Prediction Confidence Score
0.141
Applicability Domain
0.154 Low confidence
Statistical Significance
0.9907
Supporting Reference Compounds
376
E-value
7712.83
Click to view 3D structureAlpha-2A adrenergic receptorP22909Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.14
Applicability Domain
0.184 Low confidence
Statistical Significance
0.8749
Supporting Reference Compounds
42
E-value
6811.34
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.139
Applicability Domain
0.156 Low confidence
Statistical Significance
0.9956
Supporting Reference Compounds
487
E-value
7750.36
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.139
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9967
Supporting Reference Compounds
1103
E-value
7759.0
Protein mono-ADP-ribosyltransferase PARP11 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP11Q9NR21HumansPredicted (SEA)
Prediction Confidence Score
0.139
Applicability Domain
0.184 Low confidence
Statistical Significance
0.7253
Supporting Reference Compounds
27
E-value
5646.48
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.153 Low confidence
Statistical Significance
0.9819
Supporting Reference Compounds
201
E-value
7644.17
Serine/threonine-protein kinase N2 structureClick to view 3D structureSerine/threonine-protein kinase N2Q16513HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9906
Supporting Reference Compounds
567
E-value
7711.98
Click to view 3D structureAlpha-1A adrenergic receptorP18130Bos taurusPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.14 Low confidence
Statistical Significance
0.9496
Supporting Reference Compounds
85
E-value
7392.41
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.146 Low confidence
Statistical Significance
0.9964
Supporting Reference Compounds
953
E-value
7756.74
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.14 Low confidence
Statistical Significance
0.985
Supporting Reference Compounds
208
E-value
7668.38
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.14 Low confidence
Statistical Significance
0.9942
Supporting Reference Compounds
906
E-value
7739.77
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.14 Low confidence
Statistical Significance
0.9932
Supporting Reference Compounds
727
E-value
7731.91
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.14 Low confidence
Statistical Significance
0.9923
Supporting Reference Compounds
742
E-value
7724.67
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.148 Low confidence
Statistical Significance
0.9929
Supporting Reference Compounds
565
E-value
7729.88
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available