N-Methylputrescine

Details

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Internal ID 975c85ed-3bd0-48e6-ad8c-589ccd879e41
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Secondary amines > Dialkylamines
IUPAC Name N'-methylbutane-1,4-diamine
SMILES (Canonical) CNCCCCN
SMILES (Isomeric) CNCCCCN
InChI InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3
InChI Key RMIVMBYMDISYFZ-UHFFFAOYSA-N
Popularity 165 references in papers

Physical and Chemical Properties

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Molecular Formula C5H14N2
Molecular Weight 102.18 g/mol
Exact Mass 102.115698455 g/mol
Topological Polar Surface Area (TPSA) 38.00 Ų
XlogP -0.40

Synonyms

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14475-60-6
(4-aminobutyl)(methyl)amine
1,4-Butanediamine, N1-methyl-
N-methyl-1,4-Butanediamine
N'-methylbutane-1,4-diamine
N1-methyl-1,4-Butanediamine
1,4-Butanediamine, N-methyl-
1-Amino-4-methylaminobutane
N-methylbutane-1,4-diamine
N-Methyl-1,4-diaminobutane
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-Methylputrescine

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 92.68% 96.09%
CHEMBL3492 P49721 Proteasome Macropain subunit 90.45% 90.24%
CHEMBL222 P23975 Norepinephrine transporter 85.14% 96.06%
CHEMBL4581 P52732 Kinesin-like protein 1 84.90% 93.18%
CHEMBL3038469 P24941 CDK2/Cyclin A 84.35% 91.38%
CHEMBL2916 O14746 Telomerase reverse transcriptase 83.08% 90.00%
CHEMBL2996 Q05655 Protein kinase C delta 82.79% 97.79%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.44% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.57% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.38% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.33% 96.95%

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.
Nicotiana tabacum

Cross-Links

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PubChem 439791
LOTUS LTS0050047
wikiData Q27102245