2-(2-azaniumylethylamino)ethylazanium diperchlorate

C4H15Cl2N3O8 — CID 86583309

IUPAC2-(2-azaniumylethylamino)ethylazanium diperchlorate
SMILES[NH3+]CCNCC[NH3+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H13N3.2ClHO4/c5-1-3-7-4-2-6;2*2-1(3,4)5/h7H,1-6H2;2*(H,2,3,4,5)
InChIKeyKVQRLJILCHRFOZ-UHFFFAOYSA-N
MW304.08 g/mol
LogP-12.45
Rot. Bonds4

About 2-(2-azaniumylethylamino)ethylazanium diperchlorate

2-(2-azaniumylethylamino)ethylazanium diperchlorate (PubChem CID 86583309) has the molecular formula C4H15Cl2N3O8 and a molecular weight of 304.08 g/mol. Its IUPAC name is 2-(2-azaniumylethylamino)ethylazanium diperchlorate.

Molecular Properties

Compound Name2-(2-azaniumylethylamino)ethylazanium diperchlorate
PubChem CID86583309
Molecular FormulaC4H15Cl2N3O8
Molecular Weight304.08 g/mol
Exact Mass303.02
IUPAC Name2-(2-azaniumylethylamino)ethylazanium diperchlorate
SMILES[NH3+]CCNCC[NH3+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H13N3.2ClHO4/c5-1-3-7-4-2-6;2*2-1(3,4)5/h7H,1-6H2;2*(H,2,3,4,5)
InChIKeyKVQRLJILCHRFOZ-UHFFFAOYSA-N
XLogP-12.45
TPSA251.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 5-12.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide
CID 139084293
copper;N,N'-diethylethane-1,2-diamine;diperchlorate
CID 173220280
copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate
CID 139057101
hydroxyazanium perchlorate
CID 22218754
tricopper;tris(N'-(3-aminopropyl)propane-1,3-diamine);carbonate;tetraperchlorate;dihydrate
CID 139154715
CID 166114650
CID 166114650
Cupric diperchlorate tetrahydrate
CID 86521049
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
cobalt(3+);bis(N'-tetradecylethane-1,2-diamine);dinitrite;perchlorate
CID 139133515
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium
CID 20576071
CID 173278995
CID 173278995

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaniumylethylamino)ethylazanium diperchlorate?
The IUPAC name of 2-(2-azaniumylethylamino)ethylazanium diperchlorate (CID 86583309) is 2-(2-azaniumylethylamino)ethylazanium diperchlorate.
What is the SMILES notation for 2-(2-azaniumylethylamino)ethylazanium diperchlorate?
The canonical SMILES for 2-(2-azaniumylethylamino)ethylazanium diperchlorate is [NH3+]CCNCC[NH3+].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(2-azaniumylethylamino)ethylazanium diperchlorate?
The InChIKey is KVQRLJILCHRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3.2ClHO4/c5-1-3-7-4-2-6;2*2-1(3,4)5/h7H,1-6H2;2*(H,2,3,4,5).
What are the key properties of 2-(2-azaniumylethylamino)ethylazanium diperchlorate?
2-(2-azaniumylethylamino)ethylazanium diperchlorate has a molecular weight of 304.08 g/mol, XLogP of -12.45, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaniumylethylamino)ethylazanium diperchlorate is sourced from PubChem (CID 86583309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).