N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel

C18H23N3Ni — CID 87878712

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel
SMILESCC(C)c1cccc(C(C)C)c1/N=C/Cc1cnccn1.[Ni]
InChIInChI=1S/C18H23N3.Ni/c1-13(2)16-6-5-7-17(14(3)4)18(16)21-9-8-15-12-19-10-11-20-15;/h5-7,9-14H,8H2,1-4H3;/b21-9+;
InChIKeyDNDCJKQYBOVRFL-CSFJJMQLSA-N
MW340.10 g/mol
LogP4.67
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel

N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel (PubChem CID 87878712) has the molecular formula C18H23N3Ni and a molecular weight of 340.10 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel
PubChem CID87878712
Molecular FormulaC18H23N3Ni
Molecular Weight340.10 g/mol
Exact Mass339.12
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel
SMILESCC(C)c1cccc(C(C)C)c1/N=C/Cc1cnccn1.[Ni]
InChIInChI=1S/C18H23N3.Ni/c1-13(2)16-6-5-7-17(14(3)4)18(16)21-9-8-15-12-19-10-11-20-15;/h5-7,9-14H,8H2,1-4H3;/b21-9+;
InChIKeyDNDCJKQYBOVRFL-CSFJJMQLSA-N
XLogP4.67
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.10
LogP ≤ 54.67
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-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel (CID 87878712) is N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel is CC(C)c1cccc(C(C)C)c1/N=C/Cc1cnccn1.[Ni].
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel?
The InChIKey is DNDCJKQYBOVRFL-CSFJJMQLSA-N. The full InChI is InChI=1S/C18H23N3.Ni/c1-13(2)16-6-5-7-17(14(3)4)18(16)21-9-8-15-12-19-10-11-20-15;/h5-7,9-14H,8H2,1-4H3;/b21-9+;.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel?
N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel has a molecular weight of 340.10 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-pyrazin-2-ylethanimine;nickel is sourced from PubChem (CID 87878712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).