bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride

C12H30Cl2N2NiO6 — CID 139054456

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride
SMILESOCCN(CCO)CCO.OCCN(CCO)CCO.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/2C6H15NO3.2ClH.Ni/c2*8-4-1-7(2-5-9)3-6-10;;;/h2*8-10H,1-6H2;2*1H;/q;;;;+2/p-2
InChIKeyDINVALPSNOLVDR-UHFFFAOYSA-L
MW427.98 g/mol
LogP-9.46
Rot. Bonds12

About bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride

bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride (PubChem CID 139054456) has the molecular formula C12H30Cl2N2NiO6 and a molecular weight of 427.98 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride.

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride
PubChem CID139054456
Molecular FormulaC12H30Cl2N2NiO6
Molecular Weight427.98 g/mol
Exact Mass426.08
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride
SMILESOCCN(CCO)CCO.OCCN(CCO)CCO.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/2C6H15NO3.2ClH.Ni/c2*8-4-1-7(2-5-9)3-6-10;;;/h2*8-10H,1-6H2;2*1H;/q;;;;+2/p-2
InChIKeyDINVALPSNOLVDR-UHFFFAOYSA-L
XLogP-9.46
TPSA127.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 5-9.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride (CID 139054456) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride.
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride is OCCN(CCO)CCO.OCCN(CCO)CCO.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride?
The InChIKey is DINVALPSNOLVDR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H15NO3.2ClH.Ni/c2*8-4-1-7(2-5-9)3-6-10;;;/h2*8-10H,1-6H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride has a molecular weight of 427.98 g/mol, XLogP of -9.46, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);dichloride is sourced from PubChem (CID 139054456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).