4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine

C18H36N2O3 — CID 10853757

IUPAC4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine
SMILESCC(CCN1CCOCC1)COC(CN1CCOCC1)C(C)C
InChIInChI=1S/C18H36N2O3/c1-16(2)18(14-20-8-12-22-13-9-20)23-15-17(3)4-5-19-6-10-21-11-7-19/h16-18H,4-15H2,1-3H3
InChIKeyCUGLGHACDMYYJH-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.72
Rot. Bonds9

About 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine

4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine (PubChem CID 10853757) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine.

Molecular Properties

Compound Name4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine
PubChem CID10853757
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine
SMILESCC(CCN1CCOCC1)COC(CN1CCOCC1)C(C)C
InChIInChI=1S/C18H36N2O3/c1-16(2)18(14-20-8-12-22-13-9-20)23-15-17(3)4-5-19-6-10-21-11-7-19/h16-18H,4-15H2,1-3H3
InChIKeyCUGLGHACDMYYJH-UHFFFAOYSA-N
XLogP1.72
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine?
The IUPAC name of 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine (CID 10853757) is 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine.
What is the SMILES notation for 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine?
The canonical SMILES for 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine is CC(CCN1CCOCC1)COC(CN1CCOCC1)C(C)C.
What is the InChIKey of 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine?
The InChIKey is CUGLGHACDMYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-16(2)18(14-20-8-12-22-13-9-20)23-15-17(3)4-5-19-6-10-21-11-7-19/h16-18H,4-15H2,1-3H3.
What are the key properties of 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine?
4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine has a molecular weight of 328.50 g/mol, XLogP of 1.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(3-methyl-1-morpholin-4-ylbutan-2-yl)oxybutyl]morpholine is sourced from PubChem (CID 10853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).