1-(5-Aminopentyl)guanidine

Details

• Internal ID: 8b006d8a-e9bd-4501-a25f-643bcaddccff
• Taxonomy: Organic nitrogen compounds > Organonitrogen compounds > Guanidines
• IUPAC Name: 2-(5-aminopentyl)guanidine
• SMILES (Canonical): C(CCN)CCN=C(N)N
• SMILES (Isomeric): C(CCN)CCN=C(N)N
• InChI: InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)
• InChI Key: XJHFHPPZQVRVHD-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₆N₄
• Molecular Weight: 144.22 g/mol
• Exact Mass: 144.137496527 g/mol
• Topological Polar Surface Area (TPSA): 90.40 Ų
• XlogP: -1.20

Synonyms

• 1-amino-5-guanidinopentane
• 1-(5-Aminopentyl)guanidine
• 18431-52-2
• 2-(5-aminopentyl)guanidine
• CHEMBL103489
• N-(5-Amino-pentyl)-guanidine
• SCHEMBL5670730
• DTXSID90612136
• CHEBI:191632
• XJHFHPPZQVRVHD-UHFFFAOYSA-N
• BDBM50032508
• AKOS006337483
• N''-(5-AMINOPENTYL)GUANIDINE

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	94.17%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.85%	91.11%
CHEMBL2885	P07451	Carbonic anhydrase III	92.48%	87.45%
CHEMBL4581	P52732	Kinesin-like protein 1	85.49%	93.18%
CHEMBL3492	P49721	Proteasome Macropain subunit	85.07%	90.24%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.76%	97.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.38%	99.17%
CHEMBL3038469	P24941	CDK2/Cyclin A	83.61%	91.38%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.12%	96.95%

Plants that contains it

• Capparis masaikai
• Lathyrus sativus
• Nectandra pichurim
• Pityrogramma ebenea

Cross-Links

• PubChem: 21298950
• NPASS: NPC270319
• ChEMBL: CHEMBL103489
• LOTUS: LTS0108684
• wikiData: Q82512187