cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate

C12H34CoN5O7+3 — CID 54598373

IUPACcobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
SMILESO=[N+]([O-])[O-].OCCNCCNCC[OH2+].OCCNCCNCC[OH2+].[Co+2]
InChIInChI=1S/2C6H16N2O2.Co.NO3/c2*9-5-3-7-1-2-8-4-6-10;;2-1(3)4/h2*7-10H,1-6H2;;/q;;+2;-1/p+2
InChIKeyMLZNRVDDYHWZOB-UHFFFAOYSA-P
MW419.37 g/mol
LogP-4.48
Rot. Bonds14

About cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate

cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate (PubChem CID 54598373) has the molecular formula C12H34CoN5O7+3 and a molecular weight of 419.37 g/mol. Its IUPAC name is cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate.

Molecular Properties

Compound Namecobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
PubChem CID54598373
Molecular FormulaC12H34CoN5O7+3
Molecular Weight419.37 g/mol
Exact Mass419.18
IUPAC Namecobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate
SMILESO=[N+]([O-])[O-].OCCNCCNCC[OH2+].OCCNCCNCC[OH2+].[Co+2]
InChIInChI=1S/2C6H16N2O2.Co.NO3/c2*9-5-3-7-1-2-8-4-6-10;;2-1(3)4/h2*7-10H,1-6H2;;/q;;+2;-1/p+2
InChIKeyMLZNRVDDYHWZOB-UHFFFAOYSA-P
XLogP-4.48
TPSA200.58 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.37
LogP ≤ 5-4.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
The IUPAC name of cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate (CID 54598373) is cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate.
What is the SMILES notation for cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
The canonical SMILES for cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate is O=[N+]([O-])[O-].OCCNCCNCC[OH2+].OCCNCCNCC[OH2+].[Co+2].
What is the InChIKey of cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
The InChIKey is MLZNRVDDYHWZOB-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H16N2O2.Co.NO3/c2*9-5-3-7-1-2-8-4-6-10;;2-1(3)4/h2*7-10H,1-6H2;;/q;;+2;-1/p+2.
What are the key properties of cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate?
cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate has a molecular weight of 419.37 g/mol, XLogP of -4.48, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-[2-(2-hydroxyethylamino)ethylamino]ethyloxidanium);nitrate is sourced from PubChem (CID 54598373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).