1-Amino-3-(4-aminobutylamino)propan-2-ol

Details

• Internal ID: 12a358d6-88bc-4631-83f9-f83ceabb30f5
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Alkanolamines > 1,2-aminoalcohols
• IUPAC Name: 1-amino-3-(4-aminobutylamino)propan-2-ol
• InChI: InChI=1S/C7H19N3O/c8-3-1-2-4-10-6-7(11)5-9/h7,10-11H,1-6,8-9H2
• InChI Key: HAKJMYNPWUJPQO-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₉N₃O
• Molecular Weight: 161.25 g/mol
• Exact Mass: 161.152812238 g/mol
• Topological Polar Surface Area (TPSA): 84.30 Ų
• XlogP: -2.00

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.17%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	92.29%	97.29%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.03%	91.11%
CHEMBL3492	P49721	Proteasome Macropain subunit	91.39%	90.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.56%	99.17%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	84.44%	97.23%
CHEMBL3038469	P24941	CDK2/Cyclin A	83.46%	91.38%
CHEMBL4816	Q9Y243	Serine/threonine-protein kinase AKT3	83.11%	96.28%
CHEMBL4581	P52732	Kinesin-like protein 1	83.05%	93.18%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.71%	85.14%
CHEMBL2973	O75116	Rho-associated protein kinase 2	80.32%	96.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101196139
• LOTUS: LTS0235906
• wikiData: Q104375701