tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium

C24H54N6Ru — CID 158470992

IUPACtris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
SMILESC/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.[Ru]
InChIInChI=1S/3C8H18N2.Ru/c3*1-6(2)9-8(5)10-7(3)4;/h3*6-7H,1-5H3,(H,9,10);
InChIKeyHGIPVSPRYCIAIW-UHFFFAOYSA-N
MW527.81 g/mol
LogP5.43
Rot. Bonds6

About tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium

tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium (PubChem CID 158470992) has the molecular formula C24H54N6Ru and a molecular weight of 527.81 g/mol. Its IUPAC name is tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium.

Molecular Properties

Compound Nametris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
PubChem CID158470992
Molecular FormulaC24H54N6Ru
Molecular Weight527.81 g/mol
Exact Mass528.35
IUPAC Nametris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium
SMILESC/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.[Ru]
InChIInChI=1S/3C8H18N2.Ru/c3*1-6(2)9-8(5)10-7(3)4;/h3*6-7H,1-5H3,(H,9,10);
InChIKeyHGIPVSPRYCIAIW-UHFFFAOYSA-N
XLogP5.43
TPSA73.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.81
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium?
The IUPAC name of tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium (CID 158470992) is tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium.
What is the SMILES notation for tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium?
The canonical SMILES for tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium is C/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.C/C(=N\C(C)C)NC(C)C.[Ru].
What is the InChIKey of tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium?
The InChIKey is HGIPVSPRYCIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H18N2.Ru/c3*1-6(2)9-8(5)10-7(3)4;/h3*6-7H,1-5H3,(H,9,10);.
What are the key properties of tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium?
tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium has a molecular weight of 527.81 g/mol, XLogP of 5.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N,N'-di(propan-2-yl)ethanimidamide);ruthenium is sourced from PubChem (CID 158470992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).