chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine

C20H45ClCuNP2 — CID 87247220

IUPACchlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Cu]
InChIInChI=1S/C20H45NP2.ClH.Cu/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;1H;/q;;+1/p-1
InChIKeyFLMDBLPMBDWJLN-UHFFFAOYSA-M
MW460.53 g/mol
LogP7.42
Rot. Bonds6

About chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine

chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine (PubChem CID 87247220) has the molecular formula C20H45ClCuNP2 and a molecular weight of 460.53 g/mol. Its IUPAC name is chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine.

Molecular Properties

Compound Namechlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
PubChem CID87247220
Molecular FormulaC20H45ClCuNP2
Molecular Weight460.53 g/mol
Exact Mass459.20
IUPAC Namechlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Cu]
InChIInChI=1S/C20H45NP2.ClH.Cu/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;1H;/q;;+1/p-1
InChIKeyFLMDBLPMBDWJLN-UHFFFAOYSA-M
XLogP7.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 57.42
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 chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
The IUPAC name of chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine (CID 87247220) is chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine.
What is the SMILES notation for chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
The canonical SMILES for chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine is CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Cu].
What is the InChIKey of chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
The InChIKey is FLMDBLPMBDWJLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H45NP2.ClH.Cu/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;1H;/q;;+1/p-1.
What are the key properties of chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine?
chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine has a molecular weight of 460.53 g/mol, XLogP of 7.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine is sourced from PubChem (CID 87247220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).