nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)

C20H44N8NiO4 — CID 135534845

IUPACnickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)
SMILESCCN(CC)C(=NO)C(=NO)N(CC)CC.CCN(CC)C(=NO)C(=NO)N(CC)CC.[Ni]
InChIInChI=1S/2C10H22N4O2.Ni/c2*1-5-13(6-2)9(11-15)10(12-16)14(7-3)8-4;/h2*15-16H,5-8H2,1-4H3;
InChIKeyZPAROFDZZRPALL-UHFFFAOYSA-N
MW519.32 g/mol
LogP2.49
Rot. Bonds8

About nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)

nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide) (PubChem CID 135534845) has the molecular formula C20H44N8NiO4 and a molecular weight of 519.32 g/mol. Its IUPAC name is nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide).

Molecular Properties

Compound Namenickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)
PubChem CID135534845
Molecular FormulaC20H44N8NiO4
Molecular Weight519.32 g/mol
Exact Mass518.28
IUPAC Namenickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)
SMILESCCN(CC)C(=NO)C(=NO)N(CC)CC.CCN(CC)C(=NO)C(=NO)N(CC)CC.[Ni]
InChIInChI=1S/2C10H22N4O2.Ni/c2*1-5-13(6-2)9(11-15)10(12-16)14(7-3)8-4;/h2*15-16H,5-8H2,1-4H3;
InChIKeyZPAROFDZZRPALL-UHFFFAOYSA-N
XLogP2.49
TPSA143.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.32
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-(3-amino-3-hydroxyimino-2-methylpropyl)-1-ethyl-3-propan-2-ylurea
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CID 80597509
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N,N-diethylpropanethioamide
CID 638150

Frequently Asked Questions

What is the IUPAC name of nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)?
The IUPAC name of nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide) (CID 135534845) is nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide).
What is the SMILES notation for nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)?
The canonical SMILES for nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide) is CCN(CC)C(=NO)C(=NO)N(CC)CC.CCN(CC)C(=NO)C(=NO)N(CC)CC.[Ni].
What is the InChIKey of nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)?
The InChIKey is ZPAROFDZZRPALL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N4O2.Ni/c2*1-5-13(6-2)9(11-15)10(12-16)14(7-3)8-4;/h2*15-16H,5-8H2,1-4H3;.
What are the key properties of nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide)?
nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide) has a molecular weight of 519.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;bis(1-N,1-N,2-N,2-N-tetraethyl-1-N',2-N'-dihydroxyethanediimidamide) is sourced from PubChem (CID 135534845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).