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

C12H30Cl2N2NiO3 — CID 159789530

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
SMILESCCN(CC)CC.OCCN(CCO)CCO.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/C6H15NO3.C6H15N.2ClH.Ni/c8-4-1-7(2-5-9)3-6-10;1-4-7(5-2)6-3;;;/h8-10H,1-6H2;4-6H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyNIJLPLVIFZQLOS-UHFFFAOYSA-L
MW379.98 g/mol
LogP-6.38
Rot. Bonds9

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

2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride (PubChem CID 159789530) has the molecular formula C12H30Cl2N2NiO3 and a molecular weight of 379.98 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
PubChem CID159789530
Molecular FormulaC12H30Cl2N2NiO3
Molecular Weight379.98 g/mol
Exact Mass378.10
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
SMILESCCN(CC)CC.OCCN(CCO)CCO.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/C6H15NO3.C6H15N.2ClH.Ni/c8-4-1-7(2-5-9)3-6-10;1-4-7(5-2)6-3;;;/h8-10H,1-6H2;4-6H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyNIJLPLVIFZQLOS-UHFFFAOYSA-L
XLogP-6.38
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 5-6.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
bis(2-(diethylamino)ethanol);bis(iodocopper(1+))
CID 6397704
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride (CID 159789530) is 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride is CCN(CC)CC.OCCN(CCO)CCO.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride?
The InChIKey is NIJLPLVIFZQLOS-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15NO3.C6H15N.2ClH.Ni/c8-4-1-7(2-5-9)3-6-10;1-4-7(5-2)6-3;;;/h8-10H,1-6H2;4-6H2,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride?
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride has a molecular weight of 379.98 g/mol, XLogP of -6.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride is sourced from PubChem (CID 159789530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).