2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide

C6H20I2N4 — CID 139084293

IUPAC2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide
SMILES[I-].[I-].[NH3+]CCNCCNCC[NH3+]
InChIInChI=1S/C6H18N4.2HI/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H
InChIKeyQILNIZOELQDMFU-UHFFFAOYSA-N
MW402.06 g/mol
LogP-9.34
Rot. Bonds7

About 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide

2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide (PubChem CID 139084293) has the molecular formula C6H20I2N4 and a molecular weight of 402.06 g/mol. Its IUPAC name is 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide.

Molecular Properties

Compound Name2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide
PubChem CID139084293
Molecular FormulaC6H20I2N4
Molecular Weight402.06 g/mol
Exact Mass401.98
IUPAC Name2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide
SMILES[I-].[I-].[NH3+]CCNCCNCC[NH3+]
InChIInChI=1S/C6H18N4.2HI/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H
InChIKeyQILNIZOELQDMFU-UHFFFAOYSA-N
XLogP-9.34
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 5-9.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-azaniumylethylamino)ethylazanium diperchlorate
CID 86583309
CID 166114650
CID 166114650
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
2-[2-[2-[2-[(3-dodecylsulfanyl-2-methylpropanoyl)amino]ethylamino]ethylamino]ethylamino]ethylazanium
CID 20576071
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide?
The IUPAC name of 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide (CID 139084293) is 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide.
What is the SMILES notation for 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide?
The canonical SMILES for 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide is [I-].[I-].[NH3+]CCNCCNCC[NH3+].
What is the InChIKey of 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide?
The InChIKey is QILNIZOELQDMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.2HI/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H.
What are the key properties of 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide?
2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide has a molecular weight of 402.06 g/mol, XLogP of -9.34, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azaniumylethylamino)ethylamino]ethylazanium diiodide is sourced from PubChem (CID 139084293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).