bis(2-(methylamino)ethanol);nickel(2+);diacetate

C10H24N2NiO6 — CID 158242939

IUPACbis(2-(methylamino)ethanol);nickel(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CNCCO.CNCCO.[Ni+2]
InChIInChI=1S/2C3H9NO.2C2H4O2.Ni/c2*1-4-2-3-5;2*1-2(3)4;/h2*4-5H,2-3H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyGFTPTJLITMOPQX-UHFFFAOYSA-L
MW327.00 g/mol
LogP-4.09
Rot. Bonds4

About bis(2-(methylamino)ethanol);nickel(2+);diacetate

bis(2-(methylamino)ethanol);nickel(2+);diacetate (PubChem CID 158242939) has the molecular formula C10H24N2NiO6 and a molecular weight of 327.00 g/mol. Its IUPAC name is bis(2-(methylamino)ethanol);nickel(2+);diacetate.

Molecular Properties

Compound Namebis(2-(methylamino)ethanol);nickel(2+);diacetate
PubChem CID158242939
Molecular FormulaC10H24N2NiO6
Molecular Weight327.00 g/mol
Exact Mass326.10
IUPAC Namebis(2-(methylamino)ethanol);nickel(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CNCCO.CNCCO.[Ni+2]
InChIInChI=1S/2C3H9NO.2C2H4O2.Ni/c2*1-4-2-3-5;2*1-2(3)4;/h2*4-5H,2-3H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKeyGFTPTJLITMOPQX-UHFFFAOYSA-L
XLogP-4.09
TPSA144.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.00
LogP ≤ 5-4.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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2-(methylamino)ethanol;nobelium
CID 59962769
2-(methylamino)ethanol;platinum
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CID 158004537
bis(dihydroxy(oxo)phosphanium);2-(methylamino)ethanol
CID 88596466
azane;2-(methylamino)ethanol;sulfuric acid
CID 175379230
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strontium;ethane-1,2-diol;diacetate
CID 159361133
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Frequently Asked Questions

What is the IUPAC name of bis(2-(methylamino)ethanol);nickel(2+);diacetate?
The IUPAC name of bis(2-(methylamino)ethanol);nickel(2+);diacetate (CID 158242939) is bis(2-(methylamino)ethanol);nickel(2+);diacetate.
What is the SMILES notation for bis(2-(methylamino)ethanol);nickel(2+);diacetate?
The canonical SMILES for bis(2-(methylamino)ethanol);nickel(2+);diacetate is CC(=O)[O-].CC(=O)[O-].CNCCO.CNCCO.[Ni+2].
What is the InChIKey of bis(2-(methylamino)ethanol);nickel(2+);diacetate?
The InChIKey is GFTPTJLITMOPQX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H9NO.2C2H4O2.Ni/c2*1-4-2-3-5;2*1-2(3)4;/h2*4-5H,2-3H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2.
What are the key properties of bis(2-(methylamino)ethanol);nickel(2+);diacetate?
bis(2-(methylamino)ethanol);nickel(2+);diacetate has a molecular weight of 327.00 g/mol, XLogP of -4.09, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(methylamino)ethanol);nickel(2+);diacetate is sourced from PubChem (CID 158242939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).