2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride

C9H19Cl4NTi — CID 174868118

IUPAC2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[H]N=C(C(C)(C)C)C(C)(C)C.[Ti+4]
InChIInChI=1S/C9H19N.4ClH.Ti/c1-8(2,3)7(10)9(4,5)6;;;;;/h10H,1-6H3;4*1H;/q;;;;;+4/p-4
InChIKeyKDFGFFJJKNDMNK-UHFFFAOYSA-J
MW330.94 g/mol
LogP-8.89
Rot. Bonds

About 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride

2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride (PubChem CID 174868118) has the molecular formula C9H19Cl4NTi and a molecular weight of 330.94 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride
PubChem CID174868118
Molecular FormulaC9H19Cl4NTi
Molecular Weight330.94 g/mol
Exact Mass328.98
IUPAC Name2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[H]N=C(C(C)(C)C)C(C)(C)C.[Ti+4]
InChIInChI=1S/C9H19N.4ClH.Ti/c1-8(2,3)7(10)9(4,5)6;;;;;/h10H,1-6H3;4*1H;/q;;;;;+4/p-4
InChIKeyKDFGFFJJKNDMNK-UHFFFAOYSA-J
XLogP-8.89
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 5-8.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride?
The IUPAC name of 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride (CID 174868118) is 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride.
What is the SMILES notation for 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride?
The canonical SMILES for 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[H]N=C(C(C)(C)C)C(C)(C)C.[Ti+4].
What is the InChIKey of 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride?
The InChIKey is KDFGFFJJKNDMNK-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H19N.4ClH.Ti/c1-8(2,3)7(10)9(4,5)6;;;;;/h10H,1-6H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride?
2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride has a molecular weight of 330.94 g/mol, XLogP of -8.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentan-3-imine;titanium(4+);tetrachloride is sourced from PubChem (CID 174868118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).