N,N'-Bis(3-aminopropyl)-1,3-propanediamine

Details

• Internal ID: 0c625b1d-8782-4f8e-a327-3b588873a805
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Amines > Secondary amines > Dialkylamines
• IUPAC Name: N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
• SMILES (Canonical): C(CN)CNCCCNCCCN
• SMILES (Isomeric): C(CN)CNCCCNCCCN
• InChI: InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
• InChI Key: ZAXCZCOUDLENMH-UHFFFAOYSA-N
• Popularity: 125 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₂₄N₄
• Molecular Weight: 188.31 g/mol
• Exact Mass: 188.20009678 g/mol
• Topological Polar Surface Area (TPSA): 76.10 Ų
• XlogP: -1.40

Synonyms

• Norspermine
• N,N'-Bis(3-aminopropyl)-1,3-propanediamine
• THERMINE
• 1,3-Propanediamine, N,N'-bis(3-aminopropyl)-
• N,N'-Bis(3-aminopropyl)propane-1,3-diamine
• 3,3,3-tetramine
• N1,N1'-(Propane-1,3-diyl)bis(propane-1,3-diamine)
• 1,5,9,13-Tetraazatridecane
• AI3-61617
• N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
• CHEBI:45718
• N,N'-Bis[3-aminopropyl]-1,3-propanediamine
• tripropylenetetramine
• EINECS 225-007-8
• 3,3,3-tet
• CHEMBL91193
• SCHEMBL181589
• DTXSID4063533
• 1,11-diamino-4,8-diazaundecane
• GEO-00328
• AKOS005254399
• GS-0593
• NCI60_038153
• CS-0133806
• FT-0635372
• C21004
• 1,3-Propanediamine, N1,N3-bis(3-aminopropyl)-
• 3-aminopropyl-[3-(3-aminopropylamino)propyl]amine
• A872289
• J-660039
• N1,N1'-(propane-1,3-diyl)dipropane-1,3-diamine
• Q3878509
• (3-aminopropyl)({3-[(3-aminopropyl)amino]propyl})amine
• N1-[3-(3-Amino-propylamino)-propyl]-propane-1,3-diamine
• N,N'-Bis(3-aminopropyl)-1,3-propanediamine, technical grade, 90%

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	90.11%	96.09%
CHEMBL3492	P49721	Proteasome Macropain subunit	87.65%	90.24%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	86.64%	97.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.61%	91.11%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	83.65%	94.01%
CHEMBL4581	P52732	Kinesin-like protein 1	83.32%	93.18%
CHEMBL2916	O14746	Telomerase reverse transcriptase	82.72%	90.00%
CHEMBL3038469	P24941	CDK2/Cyclin A	81.81%	91.38%

Plants that contains it

• Hydrilla verticillata
• Medicago sativa

Cross-Links

• PubChem: 78350
• LOTUS: LTS0213499
• wikiData: Q3878509