4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine

C14H28N2O — CID 170043588

IUPAC4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine
SMILESCCC(CC1CCC(C)N1)CN1CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-13(10-14-5-4-12(2)15-14)11-16-6-8-17-9-7-16/h12-15H,3-11H2,1-2H3
InChIKeyVMSDTQGDXYWZCW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine

4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine (PubChem CID 170043588) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine
PubChem CID170043588
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine
SMILESCCC(CC1CCC(C)N1)CN1CCOCC1
InChIInChI=1S/C14H28N2O/c1-3-13(10-14-5-4-12(2)15-14)11-16-6-8-17-9-7-16/h12-15H,3-11H2,1-2H3
InChIKeyVMSDTQGDXYWZCW-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine?
The IUPAC name of 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine (CID 170043588) is 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine.
What is the SMILES notation for 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine?
The canonical SMILES for 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine is CCC(CC1CCC(C)N1)CN1CCOCC1.
What is the InChIKey of 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine?
The InChIKey is VMSDTQGDXYWZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-13(10-14-5-4-12(2)15-14)11-16-6-8-17-9-7-16/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine?
4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methylpyrrolidin-2-yl)methyl]butyl]morpholine is sourced from PubChem (CID 170043588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).