2-hexyl-4-methylmorpholine

C11H23NO — CID 70417916

IUPAC2-hexyl-4-methylmorpholine
SMILESCCCCCCC1CN(C)CCO1
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-11-10-12(2)8-9-13-11/h11H,3-10H2,1-2H3
InChIKeyRTFRZYBKAFNJPC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds5

About 2-hexyl-4-methylmorpholine

2-hexyl-4-methylmorpholine (PubChem CID 70417916) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-hexyl-4-methylmorpholine.

Molecular Properties

Compound Name2-hexyl-4-methylmorpholine
PubChem CID70417916
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-hexyl-4-methylmorpholine
SMILESCCCCCCC1CN(C)CCO1
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-11-10-12(2)8-9-13-11/h11H,3-10H2,1-2H3
InChIKeyRTFRZYBKAFNJPC-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-methylmorpholine?
The IUPAC name of 2-hexyl-4-methylmorpholine (CID 70417916) is 2-hexyl-4-methylmorpholine.
What is the SMILES notation for 2-hexyl-4-methylmorpholine?
The canonical SMILES for 2-hexyl-4-methylmorpholine is CCCCCCC1CN(C)CCO1.
What is the InChIKey of 2-hexyl-4-methylmorpholine?
The InChIKey is RTFRZYBKAFNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-5-6-7-11-10-12(2)8-9-13-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-hexyl-4-methylmorpholine?
2-hexyl-4-methylmorpholine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-methylmorpholine is sourced from PubChem (CID 70417916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).