5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel

C26H36N2Ni — CID 87874872

IUPAC5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel
SMILESCCCCC(=N\c1cc(C)cc(C)c1)/C(CCCC)=N/c1ccc(C)c(C)c1.[Ni]
InChIInChI=1S/C26H36N2.Ni/c1-7-9-11-25(27-23-14-13-21(5)22(6)18-23)26(12-10-8-2)28-24-16-19(3)15-20(4)17-24;/h13-18H,7-12H2,1-6H3;/b27-25+,28-26+;
InChIKeyGLEOABIGIGPNIQ-GKSBCSGRSA-N
MW435.28 g/mol
LogP8.14
Rot. Bonds9

About 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel

5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel (PubChem CID 87874872) has the molecular formula C26H36N2Ni and a molecular weight of 435.28 g/mol. Its IUPAC name is 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel.

Molecular Properties

Compound Name5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel
PubChem CID87874872
Molecular FormulaC26H36N2Ni
Molecular Weight435.28 g/mol
Exact Mass434.22
IUPAC Name5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel
SMILESCCCCC(=N\c1cc(C)cc(C)c1)/C(CCCC)=N/c1ccc(C)c(C)c1.[Ni]
InChIInChI=1S/C26H36N2.Ni/c1-7-9-11-25(27-23-14-13-21(5)22(6)18-23)26(12-10-8-2)28-24-16-19(3)15-20(4)17-24;/h13-18H,7-12H2,1-6H3;/b27-25+,28-26+;
InChIKeyGLEOABIGIGPNIQ-GKSBCSGRSA-N
XLogP8.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.28
LogP ≤ 58.14
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'}

Analyze 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel?
The IUPAC name of 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel (CID 87874872) is 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel.
What is the SMILES notation for 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel?
The canonical SMILES for 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel is CCCCC(=N\c1cc(C)cc(C)c1)/C(CCCC)=N/c1ccc(C)c(C)c1.[Ni].
What is the InChIKey of 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel?
The InChIKey is GLEOABIGIGPNIQ-GKSBCSGRSA-N. The full InChI is InChI=1S/C26H36N2.Ni/c1-7-9-11-25(27-23-14-13-21(5)22(6)18-23)26(12-10-8-2)28-24-16-19(3)15-20(4)17-24;/h13-18H,7-12H2,1-6H3;/b27-25+,28-26+;.
What are the key properties of 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel?
5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel has a molecular weight of 435.28 g/mol, XLogP of 8.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dimethylphenyl)-6-N-(3,5-dimethylphenyl)decane-5,6-diimine;nickel is sourced from PubChem (CID 87874872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).