4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine

C13H26ClNO — CID 62227070

IUPAC4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1CCCCCCCl
InChIInChI=1S/C13H26ClNO/c1-3-13-11-16-12(2)10-15(13)9-7-5-4-6-8-14/h12-13H,3-11H2,1-2H3
InChIKeyICSSKFYFZDJBEG-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.28
Rot. Bonds7

About 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine

4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine (PubChem CID 62227070) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine
PubChem CID62227070
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1CCCCCCCl
InChIInChI=1S/C13H26ClNO/c1-3-13-11-16-12(2)10-15(13)9-7-5-4-6-8-14/h12-13H,3-11H2,1-2H3
InChIKeyICSSKFYFZDJBEG-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine (CID 62227070) is 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1CCCCCCCl.
What is the InChIKey of 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine?
The InChIKey is ICSSKFYFZDJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-3-13-11-16-12(2)10-15(13)9-7-5-4-6-8-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine?
4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine has a molecular weight of 247.81 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexyl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 62227070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).