(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine

C16H21N3Ni — CID 87859710

IUPAC(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine
SMILESCCc1cccc(CC)c1N=[Ni].CCc1ncccn1
InChIInChI=1S/C10H13N.C6H8N2.Ni/c1-3-8-6-5-7-9(4-2)10(8)11;1-2-6-7-4-3-5-8-6;/h5-7H,3-4H2,1-2H3;3-5H,2H2,1H3;
InChIKeyVYSFERJXIIPPMJ-UHFFFAOYSA-N
MW314.06 g/mol
LogP4.21
Rot. Bonds4

About (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine

(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine (PubChem CID 87859710) has the molecular formula C16H21N3Ni and a molecular weight of 314.06 g/mol. Its IUPAC name is (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine.

Molecular Properties

Compound Name(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine
PubChem CID87859710
Molecular FormulaC16H21N3Ni
Molecular Weight314.06 g/mol
Exact Mass313.11
IUPAC Name(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine
SMILESCCc1cccc(CC)c1N=[Ni].CCc1ncccn1
InChIInChI=1S/C10H13N.C6H8N2.Ni/c1-3-8-6-5-7-9(4-2)10(8)11;1-2-6-7-4-3-5-8-6;/h5-7H,3-4H2,1-2H3;3-5H,2H2,1H3;
InChIKeyVYSFERJXIIPPMJ-UHFFFAOYSA-N
XLogP4.21
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.06
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-ethylquinoline
CID 143401043
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
2,3-diethylpyridine
CID 14747123
4,5-diethylquinoline
CID 154662761
ethane;3-ethyl-2-methylpyridine
CID 143071594
N-(2,6-diethylphenyl)-1-pyridin-2-ylmethanimine;nickel(2+);phenanthrene-9,10-diolate
CID 161039085
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
2-ethylpyrido[3,2-d]pyrimidine
CID 118375841
N-(2,6-diethylphenyl)ethanimine;ethane
CID 177158667
3-(2,6-diethylphenyl)imino-1-pyridin-2-ylbutan-1-one
CID 141062715
cobalt(3+);N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloride
CID 173242790
N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
CID 87860521

Frequently Asked Questions

What is the IUPAC name of (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine?
The IUPAC name of (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine (CID 87859710) is (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine.
What is the SMILES notation for (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine?
The canonical SMILES for (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine is CCc1cccc(CC)c1N=[Ni].CCc1ncccn1.
What is the InChIKey of (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine?
The InChIKey is VYSFERJXIIPPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C6H8N2.Ni/c1-3-8-6-5-7-9(4-2)10(8)11;1-2-6-7-4-3-5-8-6;/h5-7H,3-4H2,1-2H3;3-5H,2H2,1H3;.
What are the key properties of (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine?
(2,6-diethylphenyl)iminonickel;2-ethylpyrimidine has a molecular weight of 314.06 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethylphenyl)iminonickel;2-ethylpyrimidine is sourced from PubChem (CID 87859710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).