hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium

C20H40N5+3 — CID 100988841

IUPAChydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium
SMILESCCCN=c1/c(=N\CCC)c([NH2+]CCC)c([NH2+]CCC)/c1=N/CCC.[H+]
InChIInChI=1S/C20H37N5/c1-6-11-21-16-17(22-12-7-2)19(24-14-9-4)20(25-15-10-5)18(16)23-13-8-3/h21-22H,6-15H2,1-5H3/p+3/b23-18-,24-19-
InChIKeyGGBXSVKBENPROP-KVOJEJHXSA-Q
MW350.58 g/mol
LogP0.82
Rot. Bonds12

About hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium

hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium (PubChem CID 100988841) has the molecular formula C20H40N5+3 and a molecular weight of 350.58 g/mol. Its IUPAC name is hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium.

Molecular Properties

Compound Namehydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium
PubChem CID100988841
Molecular FormulaC20H40N5+3
Molecular Weight350.58 g/mol
Exact Mass350.33
IUPAC Namehydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium
SMILESCCCN=c1/c(=N\CCC)c([NH2+]CCC)c([NH2+]CCC)/c1=N/CCC.[H+]
InChIInChI=1S/C20H37N5/c1-6-11-21-16-17(22-12-7-2)19(24-14-9-4)20(25-15-10-5)18(16)23-13-8-3/h21-22H,6-15H2,1-5H3/p+3/b23-18-,24-19-
InChIKeyGGBXSVKBENPROP-KVOJEJHXSA-Q
XLogP0.82
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium?
The IUPAC name of hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium (CID 100988841) is hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium.
What is the SMILES notation for hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium?
The canonical SMILES for hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium is CCCN=c1/c(=N\CCC)c([NH2+]CCC)c([NH2+]CCC)/c1=N/CCC.[H+].
What is the InChIKey of hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium?
The InChIKey is GGBXSVKBENPROP-KVOJEJHXSA-Q. The full InChI is InChI=1S/C20H37N5/c1-6-11-21-16-17(22-12-7-2)19(24-14-9-4)20(25-15-10-5)18(16)23-13-8-3/h21-22H,6-15H2,1-5H3/p+3/b23-18-,24-19-.
What are the key properties of hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium?
hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium has a molecular weight of 350.58 g/mol, XLogP of 0.82, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;propyl-[2-(propylazaniumyl)-3,4,5-tris(propylimino)cyclopenten-1-yl]azanium is sourced from PubChem (CID 100988841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).