bis(2,2-dimethylpropoxy)methanimine

C11H23NO2 — CID 20561614

IUPACbis(2,2-dimethylpropoxy)methanimine
SMILES[H]N=C(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(2,3)7-13-9(12)14-8-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyVDMMBDIGLPJRHY-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.05
Rot. Bonds2

About bis(2,2-dimethylpropoxy)methanimine

bis(2,2-dimethylpropoxy)methanimine (PubChem CID 20561614) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is bis(2,2-dimethylpropoxy)methanimine.

Molecular Properties

Compound Namebis(2,2-dimethylpropoxy)methanimine
PubChem CID20561614
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namebis(2,2-dimethylpropoxy)methanimine
SMILES[H]N=C(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-10(2,3)7-13-9(12)14-8-11(4,5)6/h12H,7-8H2,1-6H3
InChIKeyVDMMBDIGLPJRHY-UHFFFAOYSA-N
XLogP3.05
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropoxy)methanimine?
The IUPAC name of bis(2,2-dimethylpropoxy)methanimine (CID 20561614) is bis(2,2-dimethylpropoxy)methanimine.
What is the SMILES notation for bis(2,2-dimethylpropoxy)methanimine?
The canonical SMILES for bis(2,2-dimethylpropoxy)methanimine is [H]N=C(OCC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropoxy)methanimine?
The InChIKey is VDMMBDIGLPJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2,3)7-13-9(12)14-8-11(4,5)6/h12H,7-8H2,1-6H3.
What are the key properties of bis(2,2-dimethylpropoxy)methanimine?
bis(2,2-dimethylpropoxy)methanimine has a molecular weight of 201.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropoxy)methanimine is sourced from PubChem (CID 20561614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).