N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel

C20H27N3Ni — CID 87878645

IUPACN-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(/N=C/Cc2cnccn2)c1.[Ni]
InChIInChI=1S/C20H27N3.Ni/c1-19(2,3)15-7-8-17(20(4,5)6)18(13-15)23-10-9-16-14-21-11-12-22-16;/h7-8,10-14H,9H2,1-6H3;/b23-10+;
InChIKeyGYDAQGVLVYYEIQ-CLGJSCMBSA-N
MW368.15 g/mol
LogP5.01
Rot. Bonds3

About N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel

N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel (PubChem CID 87878645) has the molecular formula C20H27N3Ni and a molecular weight of 368.15 g/mol. Its IUPAC name is N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel.

Molecular Properties

Compound NameN-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel
PubChem CID87878645
Molecular FormulaC20H27N3Ni
Molecular Weight368.15 g/mol
Exact Mass367.16
IUPAC NameN-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(/N=C/Cc2cnccn2)c1.[Ni]
InChIInChI=1S/C20H27N3.Ni/c1-19(2,3)15-7-8-17(20(4,5)6)18(13-15)23-10-9-16-14-21-11-12-22-16;/h7-8,10-14H,9H2,1-6H3;/b23-10+;
InChIKeyGYDAQGVLVYYEIQ-CLGJSCMBSA-N
XLogP5.01
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.15
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel?
The IUPAC name of N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel (CID 87878645) is N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel.
What is the SMILES notation for N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel?
The canonical SMILES for N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel is CC(C)(C)c1ccc(C(C)(C)C)c(/N=C/Cc2cnccn2)c1.[Ni].
What is the InChIKey of N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel?
The InChIKey is GYDAQGVLVYYEIQ-CLGJSCMBSA-N. The full InChI is InChI=1S/C20H27N3.Ni/c1-19(2,3)15-7-8-17(20(4,5)6)18(13-15)23-10-9-16-14-21-11-12-22-16;/h7-8,10-14H,9H2,1-6H3;/b23-10+;.
What are the key properties of N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel?
N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel has a molecular weight of 368.15 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-ditert-butylphenyl)-2-pyrazin-2-ylethanimine;nickel is sourced from PubChem (CID 87878645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).