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'}

Analyze 4-(5-chloropentyl)-2,6-dimethylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine
CID 104960003
10-(2,6-dimethylmorpholin-4-yl)dec-2-enylsilane
CID 173363050
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butane-1-sulfonic acid
CID 9248889
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609
2-(chloromethyl)-4-(4-methoxybutyl)-6-methylmorpholine
CID 102936556
(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine
CID 163495367

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).