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

C16H37Br2NNiP2 — CID 87247086

IUPACdibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
SMILESBr[Ni]Br.CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H37NP2.2BrH.Ni/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
InChIKeyOARYNQUAOJOQKK-UHFFFAOYSA-L
MW523.93 g/mol
LogP6.86
Rot. Bonds10

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

dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine (PubChem CID 87247086) has the molecular formula C16H37Br2NNiP2 and a molecular weight of 523.93 g/mol. Its IUPAC name is dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine.

Molecular Properties

Compound Namedibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
PubChem CID87247086
Molecular FormulaC16H37Br2NNiP2
Molecular Weight523.93 g/mol
Exact Mass521.01
IUPAC Namedibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
SMILESBr[Ni]Br.CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H37NP2.2BrH.Ni/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
InChIKeyOARYNQUAOJOQKK-UHFFFAOYSA-L
XLogP6.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.93
LogP ≤ 56.86
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 dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The IUPAC name of dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine (CID 87247086) is dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine.
What is the SMILES notation for dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The canonical SMILES for dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine is Br[Ni]Br.CC(C)P(CCNCCP(C(C)C)C(C)C)C(C)C.
What is the InChIKey of dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
The InChIKey is OARYNQUAOJOQKK-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H37NP2.2BrH.Ni/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 dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine?
dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine has a molecular weight of 523.93 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine is sourced from PubChem (CID 87247086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).