2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine

C11H21NO — CID 59355917

IUPAC2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine
SMILESC=C(C)CCC1CN(C)CC(C)O1
InChIInChI=1S/C11H21NO/c1-9(2)5-6-11-8-12(4)7-10(3)13-11/h10-11H,1,5-8H2,2-4H3
InChIKeyCRSLOULXHCVDFI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds3

About 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine

2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine (PubChem CID 59355917) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine.

Molecular Properties

Compound Name2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine
PubChem CID59355917
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine
SMILESC=C(C)CCC1CN(C)CC(C)O1
InChIInChI=1S/C11H21NO/c1-9(2)5-6-11-8-12(4)7-10(3)13-11/h10-11H,1,5-8H2,2-4H3
InChIKeyCRSLOULXHCVDFI-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine?
The IUPAC name of 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine (CID 59355917) is 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine.
What is the SMILES notation for 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine?
The canonical SMILES for 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine is C=C(C)CCC1CN(C)CC(C)O1.
What is the InChIKey of 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine?
The InChIKey is CRSLOULXHCVDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)5-6-11-8-12(4)7-10(3)13-11/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine?
2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(3-methylbut-3-enyl)morpholine is sourced from PubChem (CID 59355917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).