4-(5-chloropentyl)-3-methylmorpholine

C10H20ClNO — CID 61287951

IUPAC4-(5-chloropentyl)-3-methylmorpholine
SMILESCC1COCCN1CCCCCCl
InChIInChI=1S/C10H20ClNO/c1-10-9-13-8-7-12(10)6-4-2-3-5-11/h10H,2-9H2,1H3
InChIKeyBJSQCJVKEPXKRG-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.12
Rot. Bonds5

About 4-(5-chloropentyl)-3-methylmorpholine

4-(5-chloropentyl)-3-methylmorpholine (PubChem CID 61287951) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 4-(5-chloropentyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(5-chloropentyl)-3-methylmorpholine
PubChem CID61287951
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name4-(5-chloropentyl)-3-methylmorpholine
SMILESCC1COCCN1CCCCCCl
InChIInChI=1S/C10H20ClNO/c1-10-9-13-8-7-12(10)6-4-2-3-5-11/h10H,2-9H2,1H3
InChIKeyBJSQCJVKEPXKRG-UHFFFAOYSA-N
XLogP2.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.12
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)-3-methylmorpholine?
The IUPAC name of 4-(5-chloropentyl)-3-methylmorpholine (CID 61287951) is 4-(5-chloropentyl)-3-methylmorpholine.
What is the SMILES notation for 4-(5-chloropentyl)-3-methylmorpholine?
The canonical SMILES for 4-(5-chloropentyl)-3-methylmorpholine is CC1COCCN1CCCCCCl.
What is the InChIKey of 4-(5-chloropentyl)-3-methylmorpholine?
The InChIKey is BJSQCJVKEPXKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-10-9-13-8-7-12(10)6-4-2-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 4-(5-chloropentyl)-3-methylmorpholine?
4-(5-chloropentyl)-3-methylmorpholine has a molecular weight of 205.73 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentyl)-3-methylmorpholine is sourced from PubChem (CID 61287951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).