2-N,3-N-dimethylbutane-2,3-diimine;nickel

C6H12N2Ni — CID 20647685

IUPAC2-N,3-N-dimethylbutane-2,3-diimine;nickel
SMILESC/N=C(C)/C(C)=N/C.[Ni]
InChIInChI=1S/C6H12N2.Ni/c1-5(7-3)6(2)8-4;/h1-4H3;/b7-5+,8-6+;
InChIKeyINZHRIRGSCWNPX-PUFOULASSA-N
MW170.87 g/mol
LogP1.17
Rot. Bonds1

About 2-N,3-N-dimethylbutane-2,3-diimine;nickel

2-N,3-N-dimethylbutane-2,3-diimine;nickel (PubChem CID 20647685) has the molecular formula C6H12N2Ni and a molecular weight of 170.87 g/mol. Its IUPAC name is 2-N,3-N-dimethylbutane-2,3-diimine;nickel.

Molecular Properties

Compound Name2-N,3-N-dimethylbutane-2,3-diimine;nickel
PubChem CID20647685
Molecular FormulaC6H12N2Ni
Molecular Weight170.87 g/mol
Exact Mass170.04
IUPAC Name2-N,3-N-dimethylbutane-2,3-diimine;nickel
SMILESC/N=C(C)/C(C)=N/C.[Ni]
InChIInChI=1S/C6H12N2.Ni/c1-5(7-3)6(2)8-4;/h1-4H3;/b7-5+,8-6+;
InChIKeyINZHRIRGSCWNPX-PUFOULASSA-N
XLogP1.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.87
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;nickel?
The IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;nickel (CID 20647685) is 2-N,3-N-dimethylbutane-2,3-diimine;nickel.
What is the SMILES notation for 2-N,3-N-dimethylbutane-2,3-diimine;nickel?
The canonical SMILES for 2-N,3-N-dimethylbutane-2,3-diimine;nickel is C/N=C(C)/C(C)=N/C.[Ni].
What is the InChIKey of 2-N,3-N-dimethylbutane-2,3-diimine;nickel?
The InChIKey is INZHRIRGSCWNPX-PUFOULASSA-N. The full InChI is InChI=1S/C6H12N2.Ni/c1-5(7-3)6(2)8-4;/h1-4H3;/b7-5+,8-6+;.
What are the key properties of 2-N,3-N-dimethylbutane-2,3-diimine;nickel?
2-N,3-N-dimethylbutane-2,3-diimine;nickel has a molecular weight of 170.87 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethylbutane-2,3-diimine;nickel is sourced from PubChem (CID 20647685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).