2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)

C16H30NiP2 — CID 15972650

IUPAC2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)
SMILESCP(C)C.CP(C)C.[CH2-]C(C)(C)c1c[c-]ccc1.[Ni+2]
InChIInChI=1S/C10H12.2C3H9P.Ni/c1-10(2,3)9-7-5-4-6-8-9;2*1-4(2)3;/h4-5,7-8H,1H2,2-3H3;2*1-3H3;/q-2;;;+2
InChIKeyJUWCUZSCWLKTIY-UHFFFAOYSA-N
MW343.06 g/mol
LogP5.31
Rot. Bonds1

About 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)

2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane) (PubChem CID 15972650) has the molecular formula C16H30NiP2 and a molecular weight of 343.06 g/mol. Its IUPAC name is 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane).

Molecular Properties

Compound Name2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)
PubChem CID15972650
Molecular FormulaC16H30NiP2
Molecular Weight343.06 g/mol
Exact Mass342.12
IUPAC Name2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)
SMILESCP(C)C.CP(C)C.[CH2-]C(C)(C)c1c[c-]ccc1.[Ni+2]
InChIInChI=1S/C10H12.2C3H9P.Ni/c1-10(2,3)9-7-5-4-6-8-9;2*1-4(2)3;/h4-5,7-8H,1H2,2-3H3;2*1-3H3;/q-2;;;+2
InChIKeyJUWCUZSCWLKTIY-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.06
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)?
The IUPAC name of 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane) (CID 15972650) is 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane).
What is the SMILES notation for 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)?
The canonical SMILES for 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane) is CP(C)C.CP(C)C.[CH2-]C(C)(C)c1c[c-]ccc1.[Ni+2].
What is the InChIKey of 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)?
The InChIKey is JUWCUZSCWLKTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.2C3H9P.Ni/c1-10(2,3)9-7-5-4-6-8-9;2*1-4(2)3;/h4-5,7-8H,1H2,2-3H3;2*1-3H3;/q-2;;;+2.
What are the key properties of 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)?
2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane) has a molecular weight of 343.06 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane) is sourced from PubChem (CID 15972650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).