(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine

C17H26N2O — CID 23384226

IUPAC(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine
SMILES[H]/N=C(\c1ccc(C(C)(C)C)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C17H26N2O/c1-12-10-19(11-13(2)20-12)16(18)14-6-8-15(9-7-14)17(3,4)5/h6-9,12-13,18H,10-11H2,1-5H3/b18-16+
InChIKeyRAUFRKLBEAFVRH-FBMGVBCBSA-N
MW274.41 g/mol
LogP3.42
Rot. Bonds1

About (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine

(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine (PubChem CID 23384226) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine
PubChem CID23384226
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine
SMILES[H]/N=C(\c1ccc(C(C)(C)C)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C17H26N2O/c1-12-10-19(11-13(2)20-12)16(18)14-6-8-15(9-7-14)17(3,4)5/h6-9,12-13,18H,10-11H2,1-5H3/b18-16+
InChIKeyRAUFRKLBEAFVRH-FBMGVBCBSA-N
XLogP3.42
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.42
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 (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine?
The IUPAC name of (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine (CID 23384226) is (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine.
What is the SMILES notation for (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine?
The canonical SMILES for (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine is [H]/N=C(\c1ccc(C(C)(C)C)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine?
The InChIKey is RAUFRKLBEAFVRH-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-10-19(11-13(2)20-12)16(18)14-6-8-15(9-7-14)17(3,4)5/h6-9,12-13,18H,10-11H2,1-5H3/b18-16+.
What are the key properties of (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine?
(4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine has a molecular weight of 274.41 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2,6-dimethylmorpholin-4-yl)methanimine is sourced from PubChem (CID 23384226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).