2,5-dimethylmorpholine

C6H13NO — CID 517880

IUPAC2,5-dimethylmorpholine
SMILESCC1COC(C)CN1
InChIInChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKeyRPSYMAMREDJAES-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds

About 2,5-dimethylmorpholine

2,5-dimethylmorpholine (PubChem CID 517880) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,5-dimethylmorpholine.

Molecular Properties

Compound Name2,5-dimethylmorpholine
PubChem CID517880
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,5-dimethylmorpholine
SMILESCC1COC(C)CN1
InChIInChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKeyRPSYMAMREDJAES-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylmorpholine?
The IUPAC name of 2,5-dimethylmorpholine (CID 517880) is 2,5-dimethylmorpholine.
What is the SMILES notation for 2,5-dimethylmorpholine?
The canonical SMILES for 2,5-dimethylmorpholine is CC1COC(C)CN1.
What is the InChIKey of 2,5-dimethylmorpholine?
The InChIKey is RPSYMAMREDJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethylmorpholine?
2,5-dimethylmorpholine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylmorpholine is sourced from PubChem (CID 517880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).