4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride

C10H21Cl2NO — CID 19738024

IUPAC4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride
SMILESCC1CN(CCCCCl)CC(C)O1.Cl
InChIInChI=1S/C10H20ClNO.ClH/c1-9-7-12(6-4-3-5-11)8-10(2)13-9;/h9-10H,3-8H2,1-2H3;1H
InChIKeyJVAGIPMOAIMVQE-UHFFFAOYSA-N
MW242.19 g/mol
LogP2.54
Rot. Bonds4

About 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride

4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride (PubChem CID 19738024) has the molecular formula C10H21Cl2NO and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride
PubChem CID19738024
Molecular FormulaC10H21Cl2NO
Molecular Weight242.19 g/mol
Exact Mass241.10
IUPAC Name4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride
SMILESCC1CN(CCCCCl)CC(C)O1.Cl
InChIInChI=1S/C10H20ClNO.ClH/c1-9-7-12(6-4-3-5-11)8-10(2)13-9;/h9-10H,3-8H2,1-2H3;1H
InChIKeyJVAGIPMOAIMVQE-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 52.54
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-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride?
The IUPAC name of 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride (CID 19738024) is 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride?
The canonical SMILES for 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride is CC1CN(CCCCCl)CC(C)O1.Cl.
What is the InChIKey of 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride?
The InChIKey is JVAGIPMOAIMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO.ClH/c1-9-7-12(6-4-3-5-11)8-10(2)13-9;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride?
4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride has a molecular weight of 242.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutyl)-2,6-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 19738024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).