4-butyl-2,2-diethylmorpholine

C12H25NO — CID 20501268

IUPAC4-butyl-2,2-diethylmorpholine
SMILESCCCCN1CCOC(CC)(CC)C1
InChIInChI=1S/C12H25NO/c1-4-7-8-13-9-10-14-12(5-2,6-3)11-13/h4-11H2,1-3H3
InChIKeyQCIZJSTUJIYFDY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds5

About 4-butyl-2,2-diethylmorpholine

4-butyl-2,2-diethylmorpholine (PubChem CID 20501268) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-butyl-2,2-diethylmorpholine.

Molecular Properties

Compound Name4-butyl-2,2-diethylmorpholine
PubChem CID20501268
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-butyl-2,2-diethylmorpholine
SMILESCCCCN1CCOC(CC)(CC)C1
InChIInChI=1S/C12H25NO/c1-4-7-8-13-9-10-14-12(5-2,6-3)11-13/h4-11H2,1-3H3
InChIKeyQCIZJSTUJIYFDY-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,2-diethylmorpholine?
The IUPAC name of 4-butyl-2,2-diethylmorpholine (CID 20501268) is 4-butyl-2,2-diethylmorpholine.
What is the SMILES notation for 4-butyl-2,2-diethylmorpholine?
The canonical SMILES for 4-butyl-2,2-diethylmorpholine is CCCCN1CCOC(CC)(CC)C1.
What is the InChIKey of 4-butyl-2,2-diethylmorpholine?
The InChIKey is QCIZJSTUJIYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-8-13-9-10-14-12(5-2,6-3)11-13/h4-11H2,1-3H3.
What are the key properties of 4-butyl-2,2-diethylmorpholine?
4-butyl-2,2-diethylmorpholine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,2-diethylmorpholine is sourced from PubChem (CID 20501268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).