2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine

C11H21NO2 — CID 102633942

IUPAC2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine
SMILESC=C(C)CCOCC1CNCC(C)O1
InChIInChI=1S/C11H21NO2/c1-9(2)4-5-13-8-11-7-12-6-10(3)14-11/h10-12H,1,4-8H2,2-3H3
InChIKeyFGPBXSVAORHXRZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds5

About 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine

2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine (PubChem CID 102633942) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine.

Molecular Properties

Compound Name2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine
PubChem CID102633942
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine
SMILESC=C(C)CCOCC1CNCC(C)O1
InChIInChI=1S/C11H21NO2/c1-9(2)4-5-13-8-11-7-12-6-10(3)14-11/h10-12H,1,4-8H2,2-3H3
InChIKeyFGPBXSVAORHXRZ-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine?
The IUPAC name of 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine (CID 102633942) is 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine.
What is the SMILES notation for 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine?
The canonical SMILES for 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine is C=C(C)CCOCC1CNCC(C)O1.
What is the InChIKey of 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine?
The InChIKey is FGPBXSVAORHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)4-5-13-8-11-7-12-6-10(3)14-11/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine?
2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbut-3-enoxymethyl)morpholine is sourced from PubChem (CID 102633942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).