bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)

C20H42N4O2Ru — CID 154626159

IUPACbis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
SMILESCC(C)[N-]C(C)[N-]C(C)(C)C.CC(C)[N-]C(C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C9H20N2.2CHO.Ru/c2*1-7(2)10-8(3)11-9(4,5)6;2*1-2;/h2*7-8H,1-6H3;2*1H;/q2*-2;2*-1;+6
InChIKeyIACXVPPBQPLJSN-UHFFFAOYSA-N
MW471.65 g/mol
LogP6.02
Rot. Bonds6

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

bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+) (PubChem CID 154626159) has the molecular formula C20H42N4O2Ru and a molecular weight of 471.65 g/mol. Its IUPAC name is bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
PubChem CID154626159
Molecular FormulaC20H42N4O2Ru
Molecular Weight471.65 g/mol
Exact Mass472.24
IUPAC Namebis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)
SMILESCC(C)[N-]C(C)[N-]C(C)(C)C.CC(C)[N-]C(C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C9H20N2.2CHO.Ru/c2*1-7(2)10-8(3)11-9(4,5)6;2*1-2;/h2*7-8H,1-6H3;2*1H;/q2*-2;2*-1;+6
InChIKeyIACXVPPBQPLJSN-UHFFFAOYSA-N
XLogP6.02
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 56.02
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'}

Analyze bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
bis(tert-butyl(1-tert-butylazanidylethyl)azanide);nickel
CID 140639500
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
methanone;bis(methyl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626285
carbanide;propan-2-yl(1-propan-2-ylazanidylethyl)azanide;zirconium
CID 58635676
methanone;bis(methyl-[1-(2-methylbutan-2-ylazanidyl)ethyl]azanide);ruthenium(6+)
CID 154626481
bis(di(propan-2-yl)azanide);molybdenum(2+)
CID 141200548
tert-butyl(1-ethylazanidylethyl)azanide;tris(dimethylazanide);titanium
CID 153316686
butan-2-yl(1-propan-2-ylazanidylethyl)azanide;carbanide;yttrium
CID 167346325
bis(di(propan-2-yl)azanide);neodymium;hydrochloride
CID 87163735

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)?
The IUPAC name of bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+) (CID 154626159) is bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+).
What is the SMILES notation for bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)?
The canonical SMILES for bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+) is CC(C)[N-]C(C)[N-]C(C)(C)C.CC(C)[N-]C(C)[N-]C(C)(C)C.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)?
The InChIKey is IACXVPPBQPLJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H20N2.2CHO.Ru/c2*1-7(2)10-8(3)11-9(4,5)6;2*1-2;/h2*7-8H,1-6H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+)?
bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+) has a molecular weight of 471.65 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl(1-propan-2-ylazanidylethyl)azanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).