2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)

C20H49NP2Ru — CID 51346232

IUPAC2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[H-].[H-].[H-].[H-].[Ru+4]
InChIInChI=1S/C20H45NP2.Ru.4H/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;;;;;/h21H,13-16H2,1-12H3;;;;;/q;+4;4*-1
InChIKeySLGIHIDZIFVZNJ-UHFFFAOYSA-N
MW466.64 g/mol
LogP7.18
Rot. Bonds6

About 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)

2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+) (PubChem CID 51346232) has the molecular formula C20H49NP2Ru and a molecular weight of 466.64 g/mol. Its IUPAC name is 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+).

Molecular Properties

Compound Name2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)
PubChem CID51346232
Molecular FormulaC20H49NP2Ru
Molecular Weight466.64 g/mol
Exact Mass467.24
IUPAC Name2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[H-].[H-].[H-].[H-].[Ru+4]
InChIInChI=1S/C20H45NP2.Ru.4H/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;;;;;/h21H,13-16H2,1-12H3;;;;;/q;+4;4*-1
InChIKeySLGIHIDZIFVZNJ-UHFFFAOYSA-N
XLogP7.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.64
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)?
The IUPAC name of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+) (CID 51346232) is 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+).
What is the SMILES notation for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)?
The canonical SMILES for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+) is CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[H-].[H-].[H-].[H-].[Ru+4].
What is the InChIKey of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)?
The InChIKey is SLGIHIDZIFVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NP2.Ru.4H/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;;;;;/h21H,13-16H2,1-12H3;;;;;/q;+4;4*-1.
What are the key properties of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+)?
2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+) has a molecular weight of 466.64 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;hydride;ruthenium(4+) is sourced from PubChem (CID 51346232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).