2,2-ditert-butylpropanediamide;dichlorotitanium

C11H22Cl2N2O2Ti — CID 162157622

IUPAC2,2-ditert-butylpropanediamide;dichlorotitanium
SMILESCC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.Cl[Ti]Cl
InChIInChI=1S/C11H22N2O2.2ClH.Ti/c1-9(2,3)11(7(12)14,8(13)15)10(4,5)6;;;/h1-6H3,(H2,12,14)(H2,13,15);2*1H;/q;;;+2/p-2
InChIKeyZMAQUKKAUCUVFJ-UHFFFAOYSA-L
MW333.08 g/mol
LogP2.41
Rot. Bonds2

About 2,2-ditert-butylpropanediamide;dichlorotitanium

2,2-ditert-butylpropanediamide;dichlorotitanium (PubChem CID 162157622) has the molecular formula C11H22Cl2N2O2Ti and a molecular weight of 333.08 g/mol. Its IUPAC name is 2,2-ditert-butylpropanediamide;dichlorotitanium.

Molecular Properties

Compound Name2,2-ditert-butylpropanediamide;dichlorotitanium
PubChem CID162157622
Molecular FormulaC11H22Cl2N2O2Ti
Molecular Weight333.08 g/mol
Exact Mass332.05
IUPAC Name2,2-ditert-butylpropanediamide;dichlorotitanium
SMILESCC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.Cl[Ti]Cl
InChIInChI=1S/C11H22N2O2.2ClH.Ti/c1-9(2,3)11(7(12)14,8(13)15)10(4,5)6;;;/h1-6H3,(H2,12,14)(H2,13,15);2*1H;/q;;;+2/p-2
InChIKeyZMAQUKKAUCUVFJ-UHFFFAOYSA-L
XLogP2.41
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.08
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-ditert-butylpropanediamide;dichlorotitanium?
The IUPAC name of 2,2-ditert-butylpropanediamide;dichlorotitanium (CID 162157622) is 2,2-ditert-butylpropanediamide;dichlorotitanium.
What is the SMILES notation for 2,2-ditert-butylpropanediamide;dichlorotitanium?
The canonical SMILES for 2,2-ditert-butylpropanediamide;dichlorotitanium is CC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.Cl[Ti]Cl.
What is the InChIKey of 2,2-ditert-butylpropanediamide;dichlorotitanium?
The InChIKey is ZMAQUKKAUCUVFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H22N2O2.2ClH.Ti/c1-9(2,3)11(7(12)14,8(13)15)10(4,5)6;;;/h1-6H3,(H2,12,14)(H2,13,15);2*1H;/q;;;+2/p-2.
What are the key properties of 2,2-ditert-butylpropanediamide;dichlorotitanium?
2,2-ditert-butylpropanediamide;dichlorotitanium has a molecular weight of 333.08 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butylpropanediamide;dichlorotitanium is sourced from PubChem (CID 162157622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).