4-(6-chlorohexyl)-3-methylmorpholine

C11H22ClNO — CID 62228009

IUPAC4-(6-chlorohexyl)-3-methylmorpholine
SMILESCC1COCCN1CCCCCCCl
InChIInChI=1S/C11H22ClNO/c1-11-10-14-9-8-13(11)7-5-3-2-4-6-12/h11H,2-10H2,1H3
InChIKeyGVAUVEKMZZKYSI-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.51
Rot. Bonds6

About 4-(6-chlorohexyl)-3-methylmorpholine

4-(6-chlorohexyl)-3-methylmorpholine (PubChem CID 62228009) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-(6-chlorohexyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(6-chlorohexyl)-3-methylmorpholine
PubChem CID62228009
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-(6-chlorohexyl)-3-methylmorpholine
SMILESCC1COCCN1CCCCCCCl
InChIInChI=1S/C11H22ClNO/c1-11-10-14-9-8-13(11)7-5-3-2-4-6-12/h11H,2-10H2,1H3
InChIKeyGVAUVEKMZZKYSI-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.51
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)-3-methylmorpholine?
The IUPAC name of 4-(6-chlorohexyl)-3-methylmorpholine (CID 62228009) is 4-(6-chlorohexyl)-3-methylmorpholine.
What is the SMILES notation for 4-(6-chlorohexyl)-3-methylmorpholine?
The canonical SMILES for 4-(6-chlorohexyl)-3-methylmorpholine is CC1COCCN1CCCCCCCl.
What is the InChIKey of 4-(6-chlorohexyl)-3-methylmorpholine?
The InChIKey is GVAUVEKMZZKYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-11-10-14-9-8-13(11)7-5-3-2-4-6-12/h11H,2-10H2,1H3.
What are the key properties of 4-(6-chlorohexyl)-3-methylmorpholine?
4-(6-chlorohexyl)-3-methylmorpholine has a molecular weight of 219.76 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexyl)-3-methylmorpholine is sourced from PubChem (CID 62228009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).