trichloro(2,4,4-trimethylpentan-2-ylimino)niobium

C8H17Cl3NNb — CID 87500633

IUPACtrichloro(2,4,4-trimethylpentan-2-ylimino)niobium
SMILESCC(C)(C)CC(C)(C)N=[Nb](Cl)(Cl)Cl
InChIInChI=1S/C8H17N.3ClH.Nb/c1-7(2,3)6-8(4,5)9;;;;/h6H2,1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyLUXXCXIKGVBJTC-UHFFFAOYSA-K
MW326.50 g/mol
LogP5.00
Rot. Bonds2

About trichloro(2,4,4-trimethylpentan-2-ylimino)niobium

trichloro(2,4,4-trimethylpentan-2-ylimino)niobium (PubChem CID 87500633) has the molecular formula C8H17Cl3NNb and a molecular weight of 326.50 g/mol. Its IUPAC name is trichloro(2,4,4-trimethylpentan-2-ylimino)niobium.

Molecular Properties

Compound Nametrichloro(2,4,4-trimethylpentan-2-ylimino)niobium
PubChem CID87500633
Molecular FormulaC8H17Cl3NNb
Molecular Weight326.50 g/mol
Exact Mass324.95
IUPAC Nametrichloro(2,4,4-trimethylpentan-2-ylimino)niobium
SMILESCC(C)(C)CC(C)(C)N=[Nb](Cl)(Cl)Cl
InChIInChI=1S/C8H17N.3ClH.Nb/c1-7(2,3)6-8(4,5)9;;;;/h6H2,1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyLUXXCXIKGVBJTC-UHFFFAOYSA-K
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trichloro(2,4,4-trimethylpentan-2-ylimino)niobium?
The IUPAC name of trichloro(2,4,4-trimethylpentan-2-ylimino)niobium (CID 87500633) is trichloro(2,4,4-trimethylpentan-2-ylimino)niobium.
What is the SMILES notation for trichloro(2,4,4-trimethylpentan-2-ylimino)niobium?
The canonical SMILES for trichloro(2,4,4-trimethylpentan-2-ylimino)niobium is CC(C)(C)CC(C)(C)N=[Nb](Cl)(Cl)Cl.
What is the InChIKey of trichloro(2,4,4-trimethylpentan-2-ylimino)niobium?
The InChIKey is LUXXCXIKGVBJTC-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H17N.3ClH.Nb/c1-7(2,3)6-8(4,5)9;;;;/h6H2,1-5H3;3*1H;/q;;;;+3/p-3.
What are the key properties of trichloro(2,4,4-trimethylpentan-2-ylimino)niobium?
trichloro(2,4,4-trimethylpentan-2-ylimino)niobium has a molecular weight of 326.50 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(2,4,4-trimethylpentan-2-ylimino)niobium is sourced from PubChem (CID 87500633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).