Propylamine

Details

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Internal ID 247092b5-5cb7-4a7c-b823-2c573090d537
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Primary amines > Monoalkylamines
IUPAC Name propan-1-amine
SMILES (Canonical) CCCN
SMILES (Isomeric) CCCN
InChI InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
InChI Key WGYKZJWCGVVSQN-UHFFFAOYSA-N
Popularity 3,093 references in papers

Physical and Chemical Properties

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Molecular Formula C3H9N
Molecular Weight 59.11 g/mol
Exact Mass 59.073499291 g/mol
Topological Polar Surface Area (TPSA) 26.00 Ų
XlogP 0.50

Synonyms

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Propan-1-amine
107-10-8
1-Propanamine
1-Propylamine
n-Propylamine
Propanamine
1-AMINOPROPANE
Mono-n-propylamine
Monopropylamine
RCRA waste number U194
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Propylamine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.08% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 83.19% 90.17%
CHEMBL2885 P07451 Carbonic anhydrase III 83.11% 87.45%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.88% 96.95%
CHEMBL4581 P52732 Kinesin-like protein 1 82.11% 93.18%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Astragalus oxyphysus
Centaurea glastifolia
Citrus japonica
Cuscuta reflexa
Euphorbia marschalliana subsp. armena
Galanthus nivalis
Grindelia havardii
Plantago depressa
Polyscias scutellaria
Prunus dulcis
Pyrus pyraster
Senecio candollei

Cross-Links

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PubChem 7852
NPASS NPC13625