ethane-1,2-diamine;nickel(2+);acetate

C4H11N2NiO2+ — CID 23344047

IUPACethane-1,2-diamine;nickel(2+);acetate
SMILESCC(=O)[O-].NCCN.[Ni+2]
InChIInChI=1S/C2H8N2.C2H4O2.Ni/c3-1-2-4;1-2(3)4;/h1-4H2;1H3,(H,3,4);/q;;+2/p-1
InChIKeyYASBLNOUYUIFSM-UHFFFAOYSA-M
MW177.84 g/mol
LogP-2.34
Rot. Bonds1

About ethane-1,2-diamine;nickel(2+);acetate

ethane-1,2-diamine;nickel(2+);acetate (PubChem CID 23344047) has the molecular formula C4H11N2NiO2+ and a molecular weight of 177.84 g/mol. Its IUPAC name is ethane-1,2-diamine;nickel(2+);acetate.

Molecular Properties

Compound Nameethane-1,2-diamine;nickel(2+);acetate
PubChem CID23344047
Molecular FormulaC4H11N2NiO2+
Molecular Weight177.84 g/mol
Exact Mass177.02
IUPAC Nameethane-1,2-diamine;nickel(2+);acetate
SMILESCC(=O)[O-].NCCN.[Ni+2]
InChIInChI=1S/C2H8N2.C2H4O2.Ni/c3-1-2-4;1-2(3)4;/h1-4H2;1H3,(H,3,4);/q;;+2/p-1
InChIKeyYASBLNOUYUIFSM-UHFFFAOYSA-M
XLogP-2.34
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.84
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
bis(ethane-1,2-diamine);platinum(2+);diacetate
CID 175317527
copper;ethane-1,2-diamine;diacetate
CID 160578350
diazanium;zinc;ethane-1,2-diamine;tetraacetate
CID 172851360
disodium;ethane-1,2-diamine;diacetate;dihydrate
CID 172826063
octaazanium;pentakis(ethane-1,2-diamine);tetrakis(iron(3+));icosaacetate
CID 173404224
disodium;acetic acid;ethane-1,2-diamine;diacetate
CID 91971119
calcium;sodium;acetic acid;ethane-1,2-diamine;triacetate
CID 172759124
trisodium;2-aminoacetate;diacetate
CID 20975811
2-aminoacetate;iron(3+);diacetate
CID 174987571
zinc;ethane-1,2-diamine;carbonate
CID 88673860
manganese(2+);acetate;hydroxide
CID 56943305

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;nickel(2+);acetate?
The IUPAC name of ethane-1,2-diamine;nickel(2+);acetate (CID 23344047) is ethane-1,2-diamine;nickel(2+);acetate.
What is the SMILES notation for ethane-1,2-diamine;nickel(2+);acetate?
The canonical SMILES for ethane-1,2-diamine;nickel(2+);acetate is CC(=O)[O-].NCCN.[Ni+2].
What is the InChIKey of ethane-1,2-diamine;nickel(2+);acetate?
The InChIKey is YASBLNOUYUIFSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8N2.C2H4O2.Ni/c3-1-2-4;1-2(3)4;/h1-4H2;1H3,(H,3,4);/q;;+2/p-1.
What are the key properties of ethane-1,2-diamine;nickel(2+);acetate?
ethane-1,2-diamine;nickel(2+);acetate has a molecular weight of 177.84 g/mol, XLogP of -2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;nickel(2+);acetate is sourced from PubChem (CID 23344047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).