3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one

C13H25NO2 — CID 130293197

IUPAC3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one
SMILESCCCC(C)(CC)CC(=O)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-4-6-13(3,5-2)11-12(15)14-7-9-16-10-8-14/h4-11H2,1-3H3
InChIKeyJUJXLYMJTYMHAH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds5

About 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one

3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one (PubChem CID 130293197) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one
PubChem CID130293197
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one
SMILESCCCC(C)(CC)CC(=O)N1CCOCC1
InChIInChI=1S/C13H25NO2/c1-4-6-13(3,5-2)11-12(15)14-7-9-16-10-8-14/h4-11H2,1-3H3
InChIKeyJUJXLYMJTYMHAH-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one (CID 130293197) is 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one is CCCC(C)(CC)CC(=O)N1CCOCC1.
What is the InChIKey of 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one?
The InChIKey is JUJXLYMJTYMHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-13(3,5-2)11-12(15)14-7-9-16-10-8-14/h4-11H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one?
3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 130293197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).