Cyclopropanamine (CED0019383)

Record Information

Version

1.0

Creation Date

2016-05-19 04:40:24 UTC

Update Date

2026-08-22 13:38:47 UTC

Accession Number

CHEM014984

Identification

Common Name

Cyclopropanamine

Class

Small Molecule

Description

Cyclopropanamine is an organic compound with the chemical formula C3H7N and an average molecular weight of 57.10 g/mol. Cyclopropanamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This substance has been identified in or released from eight recorded sources. Within the category of electrical and electronic equipment, it is associated with electric switches, video games, still video cameras, communication cables or conductors, and power cables. It has also been found in drinking water and water supply. In the context of building and construction, the compound is linked to stairs and ramps. Additionally, it is associated with fermentation processes for beer within the food, food processing and cookware sector. The recorded route of exposure for cyclopropanamine is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Aminocyclopropane	ChEBI
Cyclopropylamine acetate	MeSH
Cyclopropylamine hydrochloride	MeSH
Cyclopropylamine, 3H-labeled	MeSH

Chemical Formula

C₃H₇N

Average Molecular Mass

57.096 g/mol

Monoisotopic Mass

57.058 g/mol

CAS Registry Number

765-30-0

IUPAC Name

cyclopropanamine

Traditional Name

aminocyclopropane

SMILES

NC1CC1

InChI Identifier

InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2

InChI Key

HTJDQJBWANPRPF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Monoalkylamines

Alternative Parents

Substituents

Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

primary aliphatic amine (CHEBI:34660 )
a small molecule (CPD-7406 )

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

Property	Value	Source
Water Solubility	258 g/L	ALOGPS
logP	-0.24	ALOGPS
logP	-0.16	ChemAxon
logS	0.66	ALOGPS
pKa (Strongest Basic)	10.06	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	26.02 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	17.13 m³·mol⁻¹	ChemAxon
Polarizability	6.86 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-7e0d85b6d0eda23d8710	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-766339a475555fd8f9b8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-4fd73469d1ab245ccfce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-2d7877b27c6d3e34d47b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-86105f84cd4b6da573c4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a73-9000000000-1fbe0a4e52cb9ba28be1	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
217.0	Log mg/kg	[120:390]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
534	Still Video Cameras	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
602	Molluscicides	Agriculture & land management	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Spermidine synthase	Q6QA75	Sus scrofa	Predicted (SEA)	0.0778492
Click to view 3D structure	Spermidine synthase	Q4CXJ6	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	0.0778492
Click to view 3D structure	Spermidine synthase	Q9NFS5	Plasmodium falciparum	Predicted (SEA)	0.0778492
Click to view 3D structure	Ornithine aminotransferase, mitochondrial	P04181	Humans	Predicted (SEA)	14.4021
Click to view 3D structure	Matrix protein 2	P06821	Influenza A virus	Predicted (SEA)	0.311397
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	5301.06
Click to view 3D structure	Lysine-specific histone demethylase 1A	O60341	Humans	Predicted (SEA)	4050.03
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	5979.37
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	7610.85
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	7591.16
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	7675.23
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	7702.71
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	7657.79
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	7708.4
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	7575.2
Click to view 3D structure	Cyclin-dependent kinase 7	P50613	Humans	Predicted (SEA)	7662.39
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	7664.1
Click to view 3D structure	Serine/threonine-protein kinase pim-2	Q9P1W9	Humans	Predicted (SEA)	7672.2
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	7727.62
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	7659.2
Click to view 3D structure	Tyrosine-protein kinase SYK	P43405	Humans	Predicted (SEA)	7691.43
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	7743.51
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	7723.73
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	7720.39
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	7730.04