4-(5-chloropentyl)-2,6-dimethylmorpholine

C11H22ClNO — CID 61289130

IUPAC4-(5-chloropentyl)-2,6-dimethylmorpholine
SMILESCC1CN(CCCCCCl)CC(C)O1
InChIInChI=1S/C11H22ClNO/c1-10-8-13(9-11(2)14-10)7-5-3-4-6-12/h10-11H,3-9H2,1-2H3
InChIKeyZUTXSZQVIBYJLE-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.50
Rot. Bonds5

About 4-(5-chloropentyl)-2,6-dimethylmorpholine

4-(5-chloropentyl)-2,6-dimethylmorpholine (PubChem CID 61289130) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-(5-chloropentyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-chloropentyl)-2,6-dimethylmorpholine
PubChem CID61289130
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-(5-chloropentyl)-2,6-dimethylmorpholine
SMILESCC1CN(CCCCCCl)CC(C)O1
InChIInChI=1S/C11H22ClNO/c1-10-8-13(9-11(2)14-10)7-5-3-4-6-12/h10-11H,3-9H2,1-2H3
InChIKeyZUTXSZQVIBYJLE-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.50
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-(5-chloropentyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(5-chloropentyl)-2,6-dimethylmorpholine (CID 61289130) is 4-(5-chloropentyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(5-chloropentyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(5-chloropentyl)-2,6-dimethylmorpholine is CC1CN(CCCCCCl)CC(C)O1.
What is the InChIKey of 4-(5-chloropentyl)-2,6-dimethylmorpholine?
The InChIKey is ZUTXSZQVIBYJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10-8-13(9-11(2)14-10)7-5-3-4-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(5-chloropentyl)-2,6-dimethylmorpholine?
4-(5-chloropentyl)-2,6-dimethylmorpholine has a molecular weight of 219.76 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 61289130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).