(1-methylpyrrolidin-3-yl)methanamine (CED0049557)

Record Information

Version

1.0

Creation Date

2026-08-23 07:14:49 UTC

Update Date

2026-08-23 07:14:49 UTC

SynCED ID

CED0049557

Secondary Accession Numbers

CHEM229080

Identification

Common Name

(1-methylpyrrolidin-3-yl)methanamine

Class

Small Molecule

Description

(1-methylpyrrolidin-3-yl)methanamine belongs to the n-alkylpyrrolidines, a subclass of pyrrolidines within the organic compounds. This organoheterocyclic compound has the chemical formula C6H14N2 and an average molecular weight of 114.19 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₄N₂

Average Molecular Mass

114.190 g/mol

Monoisotopic Mass

114.116 g/mol

CAS Registry Number

13005-11-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3

InChI Key

BAOBZCAXECCBQL-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
910.0 Log mg/kg [510:1600]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.286 Low confidence Statistical Significance 0.3421 Supporting Reference Compounds 507 E-value 2663.38
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.286 Low confidence Statistical Significance 0.2048 Supporting Reference Compounds 266 E-value 1594.2
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.286 Low confidence Statistical Significance 0.5184 Supporting Reference Compounds 861 E-value 4035.86
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.286 Low confidence Statistical Significance 0.3689 Supporting Reference Compounds 385 E-value 2872.09
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.286 Low confidence Statistical Significance 0.3595 Supporting Reference Compounds 373 E-value 2798.45
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.286 Low confidence Statistical Significance 0.3065 Supporting Reference Compounds 310 E-value 2386.31
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.286 Low confidence Statistical Significance 0.283 Supporting Reference Compounds 297 E-value 2203.44
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.286 Low confidence Statistical Significance 0.4575 Supporting Reference Compounds 562 E-value 3561.99
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.286 Low confidence Statistical Significance 0.5897 Supporting Reference Compounds 955 E-value 4591.16
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.233 Low confidence Statistical Significance 0.182 Supporting Reference Compounds 207 E-value 1417.09
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.286 Low confidence Statistical Significance 0.5707 Supporting Reference Compounds 686 E-value 4442.85
Click to view 3D structure	Choline trimethylamine-lyase	Q30W70	Desulfovibrio alaskensis	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.219 Low confidence Statistical Significance 9.00e-05 Supporting Reference Compounds 1 E-value 0.700643
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.286 Low confidence Statistical Significance 0.4447 Supporting Reference Compounds 536 E-value 3462.27
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.286 Low confidence Statistical Significance 0.2798 Supporting Reference Compounds 258 E-value 2178.07
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.286 Low confidence Statistical Significance 0.6105 Supporting Reference Compounds 823 E-value 4752.54
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.286 Low confidence Statistical Significance 0.3514 Supporting Reference Compounds 340 E-value 2735.78
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.286 Low confidence Statistical Significance 0.4605 Supporting Reference Compounds 487 E-value 3585.27
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.279 Low confidence Statistical Significance 0.1826 Supporting Reference Compounds 203 E-value 1421.29
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.233 Low confidence Statistical Significance 0.6598 Supporting Reference Compounds 1103 E-value 5136.18
Click to view 3D structure	Histamine H4 receptor	Q9H3N8	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.256 Low confidence Statistical Significance 0.2194 Supporting Reference Compounds 150 E-value 1707.78
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.237 Low confidence Statistical Significance 0.4576 Supporting Reference Compounds 528 E-value 3562.46
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.286 Low confidence Statistical Significance 0.5353 Supporting Reference Compounds 451 E-value 4167.11
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.279 Low confidence Statistical Significance 0.3373 Supporting Reference Compounds 297 E-value 2626.24
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.237 Low confidence Statistical Significance 0.5278 Supporting Reference Compounds 541 E-value 4108.8
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.233 Low confidence Statistical Significance 0.4414 Supporting Reference Compounds 386 E-value 3435.95