benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)

C15H25N2Ru — CID 159955538

IUPACbenzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
SMILESCC(C)/N=C/C=N/C(C)C.[CH3-].[Ru+].c1ccccc1
InChIInChI=1S/C8H16N2.C6H6.CH3.Ru/c1-7(2)9-5-6-10-8(3)4;1-2-4-6-5-3-1;;/h5-8H,1-4H3;1-6H;1H3;/q;;-1;+1/b9-5+,10-6+;;;
InChIKeyXIXHSDRNUPYOAL-WDSFPQLTSA-N
MW334.45 g/mol
LogP4.08
Rot. Bonds3

About benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)

benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+) (PubChem CID 159955538) has the molecular formula C15H25N2Ru and a molecular weight of 334.45 g/mol. Its IUPAC name is benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+).

Molecular Properties

Compound Namebenzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
PubChem CID159955538
Molecular FormulaC15H25N2Ru
Molecular Weight334.45 g/mol
Exact Mass335.11
IUPAC Namebenzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
SMILESCC(C)/N=C/C=N/C(C)C.[CH3-].[Ru+].c1ccccc1
InChIInChI=1S/C8H16N2.C6H6.CH3.Ru/c1-7(2)9-5-6-10-8(3)4;1-2-4-6-5-3-1;;/h5-8H,1-4H3;1-6H;1H3;/q;;-1;+1/b9-5+,10-6+;;;
InChIKeyXIXHSDRNUPYOAL-WDSFPQLTSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)?
The IUPAC name of benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+) (CID 159955538) is benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+).
What is the SMILES notation for benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)?
The canonical SMILES for benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+) is CC(C)/N=C/C=N/C(C)C.[CH3-].[Ru+].c1ccccc1.
What is the InChIKey of benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)?
The InChIKey is XIXHSDRNUPYOAL-WDSFPQLTSA-N. The full InChI is InChI=1S/C8H16N2.C6H6.CH3.Ru/c1-7(2)9-5-6-10-8(3)4;1-2-4-6-5-3-1;;/h5-8H,1-4H3;1-6H;1H3;/q;;-1;+1/b9-5+,10-6+;;;.
What are the key properties of benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)?
benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+) has a molecular weight of 334.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+) is sourced from PubChem (CID 159955538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).