lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)

C21H47LiN6Ru — CID 162293514

IUPAClithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)
SMILESCC1C(C)C(C)C(C)C1C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.[CH3-].[Li+].[Ru+2]
InChIInChI=1S/C10H20.2C5H12N3.CH3.Li.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)7-8-6-4;;;/h6-10H,1-5H3;2*1-4H3;1H3;;/q;3*-1;+1;+2
InChIKeySDQLUYBDUGEIEE-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.94
Rot. Bonds2

About lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)

lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+) (PubChem CID 162293514) has the molecular formula C21H47LiN6Ru and a molecular weight of 491.66 g/mol. Its IUPAC name is lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+).

Molecular Properties

Compound Namelithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)
PubChem CID162293514
Molecular FormulaC21H47LiN6Ru
Molecular Weight491.66 g/mol
Exact Mass492.31
IUPAC Namelithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)
SMILESCC1C(C)C(C)C(C)C1C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.[CH3-].[Li+].[Ru+2]
InChIInChI=1S/C10H20.2C5H12N3.CH3.Li.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)7-8-6-4;;;/h6-10H,1-5H3;2*1-4H3;1H3;;/q;3*-1;+1;+2
InChIKeySDQLUYBDUGEIEE-UHFFFAOYSA-N
XLogP4.94
TPSA77.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)?
The IUPAC name of lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+) (CID 162293514) is lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+).
What is the SMILES notation for lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)?
The canonical SMILES for lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+) is CC1C(C)C(C)C(C)C1C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.[CH3-].[Li+].[Ru+2].
What is the InChIKey of lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)?
The InChIKey is SDQLUYBDUGEIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.2C5H12N3.CH3.Li.Ru/c1-6-7(2)9(4)10(5)8(6)3;2*1-5(2,3)7-8-6-4;;;/h6-10H,1-5H3;2*1-4H3;1H3;;/q;3*-1;+1;+2.
What are the key properties of lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+)?
lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+) has a molecular weight of 491.66 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis((tert-butyldiazenyl)-methylazanide);carbanide;1,2,3,4,5-pentamethylcyclopentane;ruthenium(2+) is sourced from PubChem (CID 162293514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).