dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)

C16H40Cl2N2P2Ru — CID 71310888

IUPACdichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)
SMILESCC(C)P(CCN)C(C)C.CC(C)P(CCN)C(C)C.Cl[Ru]Cl
InChIInChI=1S/2C8H20NP.2ClH.Ru/c2*1-7(2)10(6-5-9)8(3)4;;;/h2*7-8H,5-6,9H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyHINVYXXIKGEKJI-UHFFFAOYSA-L
MW494.43 g/mol
LogP5.86
Rot. Bonds8

About dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)

dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine) (PubChem CID 71310888) has the molecular formula C16H40Cl2N2P2Ru and a molecular weight of 494.43 g/mol. Its IUPAC name is dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine).

Molecular Properties

Compound Namedichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)
PubChem CID71310888
Molecular FormulaC16H40Cl2N2P2Ru
Molecular Weight494.43 g/mol
Exact Mass494.11
IUPAC Namedichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)
SMILESCC(C)P(CCN)C(C)C.CC(C)P(CCN)C(C)C.Cl[Ru]Cl
InChIInChI=1S/2C8H20NP.2ClH.Ru/c2*1-7(2)10(6-5-9)8(3)4;;;/h2*7-8H,5-6,9H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKeyHINVYXXIKGEKJI-UHFFFAOYSA-L
XLogP5.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.43
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)?
The IUPAC name of dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine) (CID 71310888) is dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine).
What is the SMILES notation for dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)?
The canonical SMILES for dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine) is CC(C)P(CCN)C(C)C.CC(C)P(CCN)C(C)C.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)?
The InChIKey is HINVYXXIKGEKJI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H20NP.2ClH.Ru/c2*1-7(2)10(6-5-9)8(3)4;;;/h2*7-8H,5-6,9H2,1-4H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)?
dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine) has a molecular weight of 494.43 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine) is sourced from PubChem (CID 71310888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).