Amylamine

Details

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Internal ID 9b006731-c21a-4353-bf05-61c15ee99c54
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Primary amines > Monoalkylamines
IUPAC Name pentan-1-amine
SMILES (Canonical) CCCCCN
SMILES (Isomeric) CCCCCN
InChI InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
InChI Key DPBLXKKOBLCELK-UHFFFAOYSA-N
Popularity 852 references in papers

Physical and Chemical Properties

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Molecular Formula C5H13N
Molecular Weight 87.16 g/mol
Exact Mass 87.104799419 g/mol
Topological Polar Surface Area (TPSA) 26.00 Ų
XlogP 1.50

Synonyms

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Pentylamine
pentan-1-amine
110-58-7
1-Aminopentane
1-Pentylamine
N-AMYLAMINE
1-Pentanamine
n-Pentylamine
Monoamylamine
Norleucamine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Amylamine

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
CHEMBL2885 P07451 Carbonic anhydrase III 92.97% 87.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.27% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.21% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 88.81% 92.86%
CHEMBL4581 P52732 Kinesin-like protein 1 87.80% 93.18%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.45% 97.25%
CHEMBL230 P35354 Cyclooxygenase-2 87.22% 89.63%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.35% 96.95%
CHEMBL2581 P07339 Cathepsin D 84.70% 98.95%
CHEMBL2996 Q05655 Protein kinase C delta 84.48% 97.79%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.22% 99.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 82.80% 85.94%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 80.20% 92.08%

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.
Peucedanum palustre

Cross-Links

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PubChem 8060
LOTUS LTS0086837
wikiData Q766883