2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine

C17H26N2O — CID 81215382

IUPAC2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine
SMILESCC1CCc2cc(N3CC(C)OC(C)(C)C3)ccc2N1
InChIInChI=1S/C17H26N2O/c1-12-5-6-14-9-15(7-8-16(14)18-12)19-10-13(2)20-17(3,4)11-19/h7-9,12-13,18H,5-6,10-11H2,1-4H3
InChIKeyGBQXEQZSXKYLGR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.44
Rot. Bonds1

About 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine

2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine (PubChem CID 81215382) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine.

Molecular Properties

Compound Name2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine
PubChem CID81215382
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine
SMILESCC1CCc2cc(N3CC(C)OC(C)(C)C3)ccc2N1
InChIInChI=1S/C17H26N2O/c1-12-5-6-14-9-15(7-8-16(14)18-12)19-10-13(2)20-17(3,4)11-19/h7-9,12-13,18H,5-6,10-11H2,1-4H3
InChIKeyGBQXEQZSXKYLGR-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine?
The IUPAC name of 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine (CID 81215382) is 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine.
What is the SMILES notation for 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine?
The canonical SMILES for 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine is CC1CCc2cc(N3CC(C)OC(C)(C)C3)ccc2N1.
What is the InChIKey of 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine?
The InChIKey is GBQXEQZSXKYLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-6-14-9-15(7-8-16(14)18-12)19-10-13(2)20-17(3,4)11-19/h7-9,12-13,18H,5-6,10-11H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine?
2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine has a molecular weight of 274.41 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine is sourced from PubChem (CID 81215382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).