4-(3-chloropropyl)-3-methylmorpholine

C8H16ClNO — CID 45276418

IUPAC4-(3-chloropropyl)-3-methylmorpholine
SMILESCC1COCCN1CCCCl
InChIInChI=1S/C8H16ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3
InChIKeyGAHYWBLXVBXUQJ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds3

About 4-(3-chloropropyl)-3-methylmorpholine

4-(3-chloropropyl)-3-methylmorpholine (PubChem CID 45276418) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(3-chloropropyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropyl)-3-methylmorpholine
PubChem CID45276418
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(3-chloropropyl)-3-methylmorpholine
SMILESCC1COCCN1CCCCl
InChIInChI=1S/C8H16ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3
InChIKeyGAHYWBLXVBXUQJ-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropyl)-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-3-methylmorpholine?
The IUPAC name of 4-(3-chloropropyl)-3-methylmorpholine (CID 45276418) is 4-(3-chloropropyl)-3-methylmorpholine.
What is the SMILES notation for 4-(3-chloropropyl)-3-methylmorpholine?
The canonical SMILES for 4-(3-chloropropyl)-3-methylmorpholine is CC1COCCN1CCCCl.
What is the InChIKey of 4-(3-chloropropyl)-3-methylmorpholine?
The InChIKey is GAHYWBLXVBXUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(3-chloropropyl)-3-methylmorpholine?
4-(3-chloropropyl)-3-methylmorpholine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-3-methylmorpholine is sourced from PubChem (CID 45276418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).