2,2-ditert-butylpropanediamide;titanium;dihydrochloride

C11H24Cl2N2O2Ti — CID 173136778

IUPAC2,2-ditert-butylpropanediamide;titanium;dihydrochloride
SMILESCC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.Cl.Cl.[Ti]
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;
InChIKeyBFHBKTFIDKDNKQ-UHFFFAOYSA-N
MW335.10 g/mol
LogP1.88
Rot. Bonds2

About 2,2-ditert-butylpropanediamide;titanium;dihydrochloride

2,2-ditert-butylpropanediamide;titanium;dihydrochloride (PubChem CID 173136778) has the molecular formula C11H24Cl2N2O2Ti and a molecular weight of 335.10 g/mol. Its IUPAC name is 2,2-ditert-butylpropanediamide;titanium;dihydrochloride.

Molecular Properties

Compound Name2,2-ditert-butylpropanediamide;titanium;dihydrochloride
PubChem CID173136778
Molecular FormulaC11H24Cl2N2O2Ti
Molecular Weight335.10 g/mol
Exact Mass334.07
IUPAC Name2,2-ditert-butylpropanediamide;titanium;dihydrochloride
SMILESCC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.Cl.Cl.[Ti]
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;
InChIKeyBFHBKTFIDKDNKQ-UHFFFAOYSA-N
XLogP1.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 51.88
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;titanium;dihydrochloride?
The IUPAC name of 2,2-ditert-butylpropanediamide;titanium;dihydrochloride (CID 173136778) is 2,2-ditert-butylpropanediamide;titanium;dihydrochloride.
What is the SMILES notation for 2,2-ditert-butylpropanediamide;titanium;dihydrochloride?
The canonical SMILES for 2,2-ditert-butylpropanediamide;titanium;dihydrochloride is CC(C)(C)C(C(N)=O)(C(N)=O)C(C)(C)C.Cl.Cl.[Ti].
What is the InChIKey of 2,2-ditert-butylpropanediamide;titanium;dihydrochloride?
The InChIKey is BFHBKTFIDKDNKQ-UHFFFAOYSA-N. 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;.
What are the key properties of 2,2-ditert-butylpropanediamide;titanium;dihydrochloride?
2,2-ditert-butylpropanediamide;titanium;dihydrochloride has a molecular weight of 335.10 g/mol, XLogP of 1.88, 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;titanium;dihydrochloride is sourced from PubChem (CID 173136778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).