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

C16H37ClCuNP2 — CID 87247133

IUPACchlorocopper;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[Cu]
InChIInChI=1S/C16H37NP2.ClH.Cu/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;;+1/p-1
InChIKeyIZFAZTWZKRPPKB-UHFFFAOYSA-M
MW404.43 g/mol
LogP5.86
Rot. Bonds10

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

chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine (PubChem CID 87247133) has the molecular formula C16H37ClCuNP2 and a molecular weight of 404.43 g/mol. Its IUPAC name is chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine.

Molecular Properties

Compound Namechlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
PubChem CID87247133
Molecular FormulaC16H37ClCuNP2
Molecular Weight404.43 g/mol
Exact Mass403.14
IUPAC Namechlorocopper;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[Cu]
InChIInChI=1S/C16H37NP2.ClH.Cu/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;;+1/p-1
InChIKeyIZFAZTWZKRPPKB-UHFFFAOYSA-M
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.86
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-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The IUPAC name of chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine (CID 87247133) is chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine.
What is the SMILES notation for chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The canonical SMILES for chlorocopper;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[Cu].
What is the InChIKey of chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The InChIKey is IZFAZTWZKRPPKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H37NP2.ClH.Cu/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;;+1/p-1.
What are the key properties of chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine has a molecular weight of 404.43 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine is sourced from PubChem (CID 87247133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).