N(4)-bis(aminopropyl)spermidine(1+)

Details

• Internal ID: d3ca0fa3-2b86-4dcf-89ef-d7eda2b04377
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Quaternary ammonium salts > Tetraalkylammonium salts
• IUPAC Name: 4-aminobutyl-tris(3-aminopropyl)azanium
• InChI: InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1
• InChI Key: FMTAVYOBEGHWPT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₃₄N₅+
• Molecular Weight: 260.44 g/mol
• Exact Mass: 260.28142111 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: -1.70

Synonyms

• N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
• 4-aminobutyl-tris(3-aminopropyl)azanium
• SCHEMBL17867301
• CHEBI:83553
• N(4)-bis(3-aminopropyl)spermidine(1+)
• C21010
• 4,4-bis(3-aminopropyl)-1,8-diamino-4-azaoctane
• 4-amino-N,N,N-tris(3-aminopropyl)butan-1-aminium
• Q27156951
• B5L

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2885	P07451	Carbonic anhydrase III	88.52%	87.45%
CHEMBL4581	P52732	Kinesin-like protein 1	87.11%	93.18%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.48%	96.09%
CHEMBL3038469	P24941	CDK2/Cyclin A	85.19%	91.38%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	84.87%	97.21%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.71%	90.24%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.20%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.99%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10266536
• LOTUS: LTS0025776
• wikiData: Q27156951