1-Iodopentane

Details

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Internal ID 105b963b-b80c-4ff5-ad6a-9a821422892d
Taxonomy Organohalogen compounds > Organoiodides
IUPAC Name 1-iodopentane
SMILES (Canonical) CCCCCI
SMILES (Isomeric) CCCCCI
InChI InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3
InChI Key BLXSFCHWMBESKV-UHFFFAOYSA-N
Popularity 187 references in papers

Physical and Chemical Properties

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Molecular Formula C5H11I
Molecular Weight 198.05 g/mol
Exact Mass 197.99055 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 3.60

Synonyms

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628-17-1
n-Amyl iodide
Amyl iodide
n-Pentyl iodide
Pentyl iodide
Pentane, 1-iodo-
1-Pentyl iodide
1-Jodpentan
1-iodo-pentane
NSC 7901
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Iodopentane

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
CHEMBL240 Q12809 HERG 96.31% 89.76%
CHEMBL230 P35354 Cyclooxygenase-2 92.06% 89.63%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.35% 97.25%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.30% 92.08%
CHEMBL2581 P07339 Cathepsin D 89.21% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 88.02% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 87.00% 92.86%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.33% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.03% 97.29%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.05% 91.81%
CHEMBL1907 P15144 Aminopeptidase N 82.52% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.29% 99.17%
CHEMBL2885 P07451 Carbonic anhydrase III 80.77% 87.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 12335
LOTUS LTS0134880
wikiData Q25384953