bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)

C24H50N4O2Ru — CID 154626467

IUPACbis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
SMILESCCCC([N-]CC)[N-]C(C)(C)CC.CCCC([N-]CC)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C11H24N2.2CHO.Ru/c2*1-6-9-10(12-8-3)13-11(4,5)7-2;2*1-2;/h2*10H,6-9H2,1-5H3;2*1H;/q2*-2;2*-1;+6
InChIKeyLSIDZXOGXWPEQQ-UHFFFAOYSA-N
MW527.76 g/mol
LogP7.59
Rot. Bonds14

About bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)

bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+) (PubChem CID 154626467) has the molecular formula C24H50N4O2Ru and a molecular weight of 527.76 g/mol. Its IUPAC name is bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
PubChem CID154626467
Molecular FormulaC24H50N4O2Ru
Molecular Weight527.76 g/mol
Exact Mass528.30
IUPAC Namebis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
SMILESCCCC([N-]CC)[N-]C(C)(C)CC.CCCC([N-]CC)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C11H24N2.2CHO.Ru/c2*1-6-9-10(12-8-3)13-11(4,5)7-2;2*1-2;/h2*10H,6-9H2,1-5H3;2*1H;/q2*-2;2*-1;+6
InChIKeyLSIDZXOGXWPEQQ-UHFFFAOYSA-N
XLogP7.59
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 57.59
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-(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-methylazanidylbutyl)azanide);ruthenium(6+)
CID 154626171
bis(ethyl(1-methylazanidylpentyl)azanide);methanone;ruthenium(6+)
CID 154626318
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
CID 154626258
bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
CID 154626487
methanone;bis(methyl(1-propylazanidylpropyl)azanide);ruthenium(6+)
CID 154626406
bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
azane;heptan-4-amine
CID 118430725
3-tert-butyl-2,2-dimethylhexane
CID 53428784
tert-butyl(1-ethylazanidylethyl)azanide;tris(dimethylazanide);titanium
CID 153316686

Frequently Asked Questions

What is the IUPAC name of bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)?
The IUPAC name of bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+) (CID 154626467) is bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+).
What is the SMILES notation for bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)?
The canonical SMILES for bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+) is CCCC([N-]CC)[N-]C(C)(C)CC.CCCC([N-]CC)[N-]C(C)(C)CC.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)?
The InChIKey is LSIDZXOGXWPEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2.2CHO.Ru/c2*1-6-9-10(12-8-3)13-11(4,5)7-2;2*1-2;/h2*10H,6-9H2,1-5H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)?
bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+) has a molecular weight of 527.76 g/mol, XLogP of 7.59, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).