2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane

C16H28N2O — CID 156651571

IUPAC2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane
SMILESCC.Cc1ccc(N2CCOC(C(C)(C)C)C2)cn1
InChIInChI=1S/C14H22N2O.C2H6/c1-11-5-6-12(9-15-11)16-7-8-17-13(10-16)14(2,3)4;1-2/h5-6,9,13H,7-8,10H2,1-4H3;1-2H3
InChIKeyGTZJBQUGQATVJE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.67
Rot. Bonds1

About 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane

2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane (PubChem CID 156651571) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane.

Molecular Properties

Compound Name2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane
PubChem CID156651571
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane
SMILESCC.Cc1ccc(N2CCOC(C(C)(C)C)C2)cn1
InChIInChI=1S/C14H22N2O.C2H6/c1-11-5-6-12(9-15-11)16-7-8-17-13(10-16)14(2,3)4;1-2/h5-6,9,13H,7-8,10H2,1-4H3;1-2H3
InChIKeyGTZJBQUGQATVJE-UHFFFAOYSA-N
XLogP3.67
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane?
The IUPAC name of 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane (CID 156651571) is 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane.
What is the SMILES notation for 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane?
The canonical SMILES for 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane is CC.Cc1ccc(N2CCOC(C(C)(C)C)C2)cn1.
What is the InChIKey of 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane?
The InChIKey is GTZJBQUGQATVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C2H6/c1-11-5-6-12(9-15-11)16-7-8-17-13(10-16)14(2,3)4;1-2/h5-6,9,13H,7-8,10H2,1-4H3;1-2H3.
What are the key properties of 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane?
2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane has a molecular weight of 264.41 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(6-methyl-3-pyridinyl)morpholine;ethane is sourced from PubChem (CID 156651571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).