2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride

C16H37ClIrNP2+2 — CID 154825460

IUPAC2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride
SMILESCC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.[Cl-].[Ir+3]
InChIInChI=1S/C16H37NP2.ClH.Ir/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;1H;/q;;+3/p-1
InChIKeyYIAQDLBXCLHJRX-UHFFFAOYSA-M
MW533.10 g/mol
LogP2.17
Rot. Bonds10

About 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride

2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride (PubChem CID 154825460) has the molecular formula C16H37ClIrNP2+2 and a molecular weight of 533.10 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride
PubChem CID154825460
Molecular FormulaC16H37ClIrNP2+2
Molecular Weight533.10 g/mol
Exact Mass533.17
IUPAC Name2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride
SMILESCC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.[Cl-].[Ir+3]
InChIInChI=1S/C16H37NP2.ClH.Ir/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;1H;/q;;+3/p-1
InChIKeyYIAQDLBXCLHJRX-UHFFFAOYSA-M
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.10
LogP ≤ 52.17
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'}

Analyze 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride with MolForge

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Related Compounds

Bis[(2-di-i-propylphosphino)ethyl]amine, min. 97% (10 wt% in tetrahydrofuran)
CID 15757160
Bis[2-(DI-T-butylphosphino)ethyl]amine
CID 51346231
dichlorocobalt;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
CID 87247092
2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt
CID 87247196
Chlorodihydrido[bis(2-di-i-propylphosphinoethyl)amine]iridium(III)
CID 16218156
Tetrahydrido(2-(di-tert-butylphosphino-kappaP-ethyl)amineruthenium(IV)
CID 51346232
2-dipropylphosphanyl-N-(2-dipropylphosphanylethyl)ethanamine
CID 58997738
3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine
CID 87179869
dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
CID 87247086
2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride
CID 87247126
chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
CID 87247133
chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
CID 87247220

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride?
The IUPAC name of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride (CID 154825460) is 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride.
What is the SMILES notation for 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride?
The canonical SMILES for 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride is CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.[Cl-].[Ir+3].
What is the InChIKey of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride?
The InChIKey is YIAQDLBXCLHJRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H37NP2.ClH.Ir/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;1H;/q;;+3/p-1.
What are the key properties of 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride?
2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride has a molecular weight of 533.10 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;iridium(3+);chloride is sourced from PubChem (CID 154825460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).