ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane

C16H27NV — CID 143427772

IUPACethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane
SMILESCC.CCC(C)C.[H]/N=C(\C)c1ccccc1C=[V]
InChIInChI=1S/C9H9N.C5H12.C2H6.V/c1-7-5-3-4-6-9(7)8(2)10;1-4-5(2)3;1-2;/h1,3-6,10H,2H3;5H,4H2,1-3H3;1-2H3;/b10-8+;;;
InChIKeyYOXLVOMYXPMWEK-WDMODZRLSA-N
MW284.34 g/mol
LogP4.85
Rot. Bonds3

About ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane

ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane (PubChem CID 143427772) has the molecular formula C16H27NV and a molecular weight of 284.34 g/mol. Its IUPAC name is ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane.

Molecular Properties

Compound Nameethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane
PubChem CID143427772
Molecular FormulaC16H27NV
Molecular Weight284.34 g/mol
Exact Mass284.16
IUPAC Nameethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane
SMILESCC.CCC(C)C.[H]/N=C(\C)c1ccccc1C=[V]
InChIInChI=1S/C9H9N.C5H12.C2H6.V/c1-7-5-3-4-6-9(7)8(2)10;1-4-5(2)3;1-2;/h1,3-6,10H,2H3;5H,4H2,1-3H3;1-2H3;/b10-8+;;;
InChIKeyYOXLVOMYXPMWEK-WDMODZRLSA-N
XLogP4.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-phenylethanimine
CID 91121262
2-methyl-1-phenylbutan-1-imine
CID 12072867
butane;1-(2,3-dimethylphenyl)ethanimine
CID 177029537
1-(2-methoxyphenyl)ethanimine
CID 154457857
ethane;2-methylbutane;triphenylsulfanium
CID 165080585
1-[2-(methylideneamino)phenyl]ethanimine
CID 89114135
2-ethanimidoylbenzonitrile
CID 166811885
(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine
CID 90963737
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
1-(2-diphenylphosphanylphenyl)-2-methylbutan-1-imine
CID 139968155
ethane;bis(2-methylbutane);5-methylhexan-2-imine;bis(4-methylpentan-2-one);2-methylpropylbenzene
CID 159421553
2-[(E)-6-hydroxyoct-4-enimidoyl]benzaldehyde
CID 163774304

Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane?
The IUPAC name of ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane (CID 143427772) is ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane.
What is the SMILES notation for ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane?
The canonical SMILES for ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane is CC.CCC(C)C.[H]/N=C(\C)c1ccccc1C=[V].
What is the InChIKey of ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane?
The InChIKey is YOXLVOMYXPMWEK-WDMODZRLSA-N. The full InChI is InChI=1S/C9H9N.C5H12.C2H6.V/c1-7-5-3-4-6-9(7)8(2)10;1-4-5(2)3;1-2;/h1,3-6,10H,2H3;5H,4H2,1-3H3;1-2H3;/b10-8+;;;.
What are the key properties of ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane?
ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane has a molecular weight of 284.34 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethanimidoylphenyl)methylidenevanadium;2-methylbutane is sourced from PubChem (CID 143427772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).