bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride

C22H52Cl2N2P2Ru — CID 146156617

IUPACbis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride
SMILESCC(C)(C)P(CCCN)C(C)(C)C.CC(C)(C)P(CCCN)C(C)(C)C.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C11H26NP.2ClH.Ru/c2*1-10(2,3)13(9-7-8-12)11(4,5)6;;;/h2*7-9,12H2,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyNSPIEVFIMGNWDW-UHFFFAOYSA-L
MW578.60 g/mol
LogP0.83
Rot. Bonds6

About bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride

bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride (PubChem CID 146156617) has the molecular formula C22H52Cl2N2P2Ru and a molecular weight of 578.60 g/mol. Its IUPAC name is bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride.

Molecular Properties

Compound Namebis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride
PubChem CID146156617
Molecular FormulaC22H52Cl2N2P2Ru
Molecular Weight578.60 g/mol
Exact Mass578.20
IUPAC Namebis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride
SMILESCC(C)(C)P(CCCN)C(C)(C)C.CC(C)(C)P(CCCN)C(C)(C)C.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C11H26NP.2ClH.Ru/c2*1-10(2,3)13(9-7-8-12)11(4,5)6;;;/h2*7-9,12H2,1-6H3;2*1H;/q;;;;+2/p-2
InChIKeyNSPIEVFIMGNWDW-UHFFFAOYSA-L
XLogP0.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.60
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
CID 173080651
ditert-butyl(propyl)phosphane
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2-ditert-butylphosphanylethyl(trimethyl)azanium chloride
CID 11207890
propane-1,3-diamine;propane-2,2-diamine
CID 159356345
1,1-bis(2-ditert-butylphosphanylethyl)hydrazine
CID 118651289
ditert-butyl-(14-ditert-butylphosphanyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluorotetradecyl)phosphane
CID 102074563
4-ditert-butylphosphanylbutane-1-sulfonic acid
CID 163215986
4,4-dimethylpentan-1-amine
CID 14454757
ditert-butyl(propyl)phosphane ditetrafluoroborate
CID 175033358
butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
CID 175949871
platinum(2+);propane-1,3-diamine;dichloride
CID 11717080
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451

Frequently Asked Questions

What is the IUPAC name of bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
The IUPAC name of bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride (CID 146156617) is bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride.
What is the SMILES notation for bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
The canonical SMILES for bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride is CC(C)(C)P(CCCN)C(C)(C)C.CC(C)(C)P(CCCN)C(C)(C)C.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
The InChIKey is NSPIEVFIMGNWDW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H26NP.2ClH.Ru/c2*1-10(2,3)13(9-7-8-12)11(4,5)6;;;/h2*7-9,12H2,1-6H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride?
bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride has a molecular weight of 578.60 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride is sourced from PubChem (CID 146156617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).