4-(4-aminophenyl)aniline;azanide;nickel(2+)

C12H16N4Ni — CID 87835817

IUPAC4-(4-aminophenyl)aniline;azanide;nickel(2+)
SMILESNc1ccc(-c2ccc(N)cc2)cc1.[NH2-].[NH2-].[Ni+2]
InChIInChI=1S/C12H12N2.2H2N.Ni/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;/h1-8H,13-14H2;2*1H2;/q;2*-1;+2
InChIKeySONVEYHINAUXDT-UHFFFAOYSA-N
MW274.98 g/mol
LogP3.95
Rot. Bonds1

About 4-(4-aminophenyl)aniline;azanide;nickel(2+)

4-(4-aminophenyl)aniline;azanide;nickel(2+) (PubChem CID 87835817) has the molecular formula C12H16N4Ni and a molecular weight of 274.98 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;azanide;nickel(2+).

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;azanide;nickel(2+)
PubChem CID87835817
Molecular FormulaC12H16N4Ni
Molecular Weight274.98 g/mol
Exact Mass274.07
IUPAC Name4-(4-aminophenyl)aniline;azanide;nickel(2+)
SMILESNc1ccc(-c2ccc(N)cc2)cc1.[NH2-].[NH2-].[Ni+2]
InChIInChI=1S/C12H12N2.2H2N.Ni/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;/h1-8H,13-14H2;2*1H2;/q;2*-1;+2
InChIKeySONVEYHINAUXDT-UHFFFAOYSA-N
XLogP3.95
TPSA119.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.98
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;azanide;nickel(2+)?
The IUPAC name of 4-(4-aminophenyl)aniline;azanide;nickel(2+) (CID 87835817) is 4-(4-aminophenyl)aniline;azanide;nickel(2+).
What is the SMILES notation for 4-(4-aminophenyl)aniline;azanide;nickel(2+)?
The canonical SMILES for 4-(4-aminophenyl)aniline;azanide;nickel(2+) is Nc1ccc(-c2ccc(N)cc2)cc1.[NH2-].[NH2-].[Ni+2].
What is the InChIKey of 4-(4-aminophenyl)aniline;azanide;nickel(2+)?
The InChIKey is SONVEYHINAUXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2H2N.Ni/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;;/h1-8H,13-14H2;2*1H2;/q;2*-1;+2.
What are the key properties of 4-(4-aminophenyl)aniline;azanide;nickel(2+)?
4-(4-aminophenyl)aniline;azanide;nickel(2+) has a molecular weight of 274.98 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;azanide;nickel(2+) is sourced from PubChem (CID 87835817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).