1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine

C11H22N2O — CID 63175909

IUPAC1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(/N1CC(C)OCC1C)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8-7-14-9(2)6-13(8)10(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/b12-10+
InChIKeySJQUOEHZBLPAGN-ZRDIBKRKSA-N
MW198.31 g/mol
LogP2.12
Rot. Bonds

About 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine

1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine (PubChem CID 63175909) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine
PubChem CID63175909
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(/N1CC(C)OCC1C)C(C)(C)C
InChIInChI=1S/C11H22N2O/c1-8-7-14-9(2)6-13(8)10(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/b12-10+
InChIKeySJQUOEHZBLPAGN-ZRDIBKRKSA-N
XLogP2.12
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine (CID 63175909) is 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(/N1CC(C)OCC1C)C(C)(C)C.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is SJQUOEHZBLPAGN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-7-14-9(2)6-13(8)10(12)11(3,4)5/h8-9,12H,6-7H2,1-5H3/b12-10+.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine?
1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 198.31 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63175909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).