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

C12H31ClN2NiO10+2 — CID 54598624

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid
SMILESOCCN(CCO)CCO.OCCN(CCO)CCO.[Ni+2].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/2C6H15NO3.ClHO4.Ni/c2*8-4-1-7(2-5-9)3-6-10;2-1(3,4)5;/h2*8-10H,1-6H2;(H,2,3,4,5);/q;;;+2
InChIKeyCFTJQCQQSOSHDO-UHFFFAOYSA-N
MW457.53 g/mol
LogP-7.60
Rot. Bonds12

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

bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid (PubChem CID 54598624) has the molecular formula C12H31ClN2NiO10+2 and a molecular weight of 457.53 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid.

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid
PubChem CID54598624
Molecular FormulaC12H31ClN2NiO10+2
Molecular Weight457.53 g/mol
Exact Mass456.10
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid
SMILESOCCN(CCO)CCO.OCCN(CCO)CCO.[Ni+2].[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/2C6H15NO3.ClHO4.Ni/c2*8-4-1-7(2-5-9)3-6-10;2-1(3,4)5;/h2*8-10H,1-6H2;(H,2,3,4,5);/q;;;+2
InChIKeyCFTJQCQQSOSHDO-UHFFFAOYSA-N
XLogP-7.60
TPSA217.27 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500457.53
LogP ≤ 5-7.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid (CID 54598624) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid.
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid is OCCN(CCO)CCO.OCCN(CCO)CCO.[Ni+2].[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid?
The InChIKey is CFTJQCQQSOSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO3.ClHO4.Ni/c2*8-4-1-7(2-5-9)3-6-10;2-1(3,4)5;/h2*8-10H,1-6H2;(H,2,3,4,5);/q;;;+2.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid has a molecular weight of 457.53 g/mol, XLogP of -7.60, 12 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);nickel(2+);perchloric acid is sourced from PubChem (CID 54598624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).