4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine

C20H40N2O3 — CID 23050410

IUPAC4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCCOCCCCN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C20H40N2O3/c1-17-13-21(14-18(2)24-17)9-5-7-11-23-12-8-6-10-22-15-19(3)25-20(4)16-22/h17-20H,5-16H2,1-4H3
InChIKeyJKZBFFSVXQEWPA-UHFFFAOYSA-N
MW356.55 g/mol
LogP2.78
Rot. Bonds10

About 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine

4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine (PubChem CID 23050410) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine
PubChem CID23050410
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Name4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCCOCCCCN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C20H40N2O3/c1-17-13-21(14-18(2)24-17)9-5-7-11-23-12-8-6-10-22-15-19(3)25-20(4)16-22/h17-20H,5-16H2,1-4H3
InChIKeyJKZBFFSVXQEWPA-UHFFFAOYSA-N
XLogP2.78
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine (CID 23050410) is 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine is CC1CN(CCCCOCCCCN2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine?
The InChIKey is JKZBFFSVXQEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-17-13-21(14-18(2)24-17)9-5-7-11-23-12-8-6-10-22-15-19(3)25-20(4)16-22/h17-20H,5-16H2,1-4H3.
What are the key properties of 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine?
4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine has a molecular weight of 356.55 g/mol, XLogP of 2.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-dimethylmorpholin-4-yl)butoxy]butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 23050410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).