5-tert-butyl-2-methylmorpholine

C9H19NO — CID 82280213

IUPAC5-tert-butyl-2-methylmorpholine
SMILESCC1CNC(C(C)(C)C)CO1
InChIInChI=1S/C9H19NO/c1-7-5-10-8(6-11-7)9(2,3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyAYUSHOPXEQWYPO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds

About 5-tert-butyl-2-methylmorpholine

5-tert-butyl-2-methylmorpholine (PubChem CID 82280213) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-tert-butyl-2-methylmorpholine.

Molecular Properties

Compound Name5-tert-butyl-2-methylmorpholine
PubChem CID82280213
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-tert-butyl-2-methylmorpholine
SMILESCC1CNC(C(C)(C)C)CO1
InChIInChI=1S/C9H19NO/c1-7-5-10-8(6-11-7)9(2,3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyAYUSHOPXEQWYPO-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylmorpholine?
The IUPAC name of 5-tert-butyl-2-methylmorpholine (CID 82280213) is 5-tert-butyl-2-methylmorpholine.
What is the SMILES notation for 5-tert-butyl-2-methylmorpholine?
The canonical SMILES for 5-tert-butyl-2-methylmorpholine is CC1CNC(C(C)(C)C)CO1.
What is the InChIKey of 5-tert-butyl-2-methylmorpholine?
The InChIKey is AYUSHOPXEQWYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-5-10-8(6-11-7)9(2,3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methylmorpholine?
5-tert-butyl-2-methylmorpholine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylmorpholine is sourced from PubChem (CID 82280213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).