dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine

C16H37Cl2NP2Ru — CID 87289351

IUPACdichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
SMILESCC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.Cl[Ru]Cl
InChIInChI=1S/C16H37NP2.2ClH.Ru/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;;;/h13-17H,9-12H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyTWCWRYLNUKUOTL-UHFFFAOYSA-L
MW477.40 g/mol
LogP6.55
Rot. Bonds10

About dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine

dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine (PubChem CID 87289351) has the molecular formula C16H37Cl2NP2Ru and a molecular weight of 477.40 g/mol. Its IUPAC name is dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine.

Molecular Properties

Compound Namedichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
PubChem CID87289351
Molecular FormulaC16H37Cl2NP2Ru
Molecular Weight477.40 g/mol
Exact Mass477.08
IUPAC Namedichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
SMILESCC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.Cl[Ru]Cl
InChIInChI=1S/C16H37NP2.2ClH.Ru/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;;;/h13-17H,9-12H2,1-8H3;2*1H;/q;;;+2/p-2
InChIKeyTWCWRYLNUKUOTL-UHFFFAOYSA-L
XLogP6.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 56.55
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 dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The IUPAC name of dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine (CID 87289351) is dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine.
What is the SMILES notation for dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The canonical SMILES for dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine is CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The InChIKey is TWCWRYLNUKUOTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H37NP2.2ClH.Ru/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;;;/h13-17H,9-12H2,1-8H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine has a molecular weight of 477.40 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine is sourced from PubChem (CID 87289351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).