bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)

C28H58N4O2Ru — CID 154626385

IUPACbis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
SMILESCCC(C)(C)C([N-]C(C)C)[N-]C(C)(C)C.CCC(C)(C)C([N-]C(C)C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C13H28N2.2CHO.Ru/c2*1-9-13(7,8)11(14-10(2)3)15-12(4,5)6;2*1-2;/h2*10-11H,9H2,1-8H3;2*1H;/q2*-2;2*-1;+6
InChIKeyDIRZNKWQHMQQGL-UHFFFAOYSA-N
MW583.87 g/mol
LogP8.86
Rot. Bonds10

About bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)

bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+) (PubChem CID 154626385) has the molecular formula C28H58N4O2Ru and a molecular weight of 583.87 g/mol. Its IUPAC name is bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
PubChem CID154626385
Molecular FormulaC28H58N4O2Ru
Molecular Weight583.87 g/mol
Exact Mass584.36
IUPAC Namebis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
SMILESCCC(C)(C)C([N-]C(C)C)[N-]C(C)(C)C.CCC(C)(C)C([N-]C(C)C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C13H28N2.2CHO.Ru/c2*1-9-13(7,8)11(14-10(2)3)15-12(4,5)6;2*1-2;/h2*10-11H,9H2,1-8H3;2*1H;/q2*-2;2*-1;+6
InChIKeyDIRZNKWQHMQQGL-UHFFFAOYSA-N
XLogP8.86
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.87
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
CID 154626159
bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
CID 154626487
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
CID 154626258
methanone;bis(propan-2-yl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626137
bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
CID 154626208
bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
CID 154626212
methanone;bis(methyl-[1-(2-methylbutan-2-ylazanidyl)ethyl]azanide);ruthenium(6+)
CID 154626481
methanone;bis(methyl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626285
tris(diethylazanide);di(propan-2-yl)azanide;tungsten
CID 87312600
bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)
CID 87312374
tris(diethylazanide);di(propan-2-yl)azanide;titanium(4+)
CID 87312949
bis(2-methylbutan-2-ylimino)molybdenum;2-methylpropane;propan-2-yl(1-propan-2-ylazanidylpropyl)azanide
CID 162467898

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)?
The IUPAC name of bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+) (CID 154626385) is bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+).
What is the SMILES notation for bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)?
The canonical SMILES for bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+) is CCC(C)(C)C([N-]C(C)C)[N-]C(C)(C)C.CCC(C)(C)C([N-]C(C)C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)?
The InChIKey is DIRZNKWQHMQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H28N2.2CHO.Ru/c2*1-9-13(7,8)11(14-10(2)3)15-12(4,5)6;2*1-2;/h2*10-11H,9H2,1-8H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)?
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+) has a molecular weight of 583.87 g/mol, XLogP of 8.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).