1-methoxy-N,N-dimethylethanamine

C5H13NO — CID 22505825

IUPAC1-methoxy-N,N-dimethylethanamine
SMILESCOC(C)N(C)C
InChIInChI=1S/C5H13NO/c1-5(7-4)6(2)3/h5H,1-4H3
InChIKeyBGGVJKGMDWLNRC-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.54
Rot. Bonds2

About 1-methoxy-N,N-dimethylethanamine

1-methoxy-N,N-dimethylethanamine (PubChem CID 22505825) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethylethanamine
PubChem CID22505825
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name1-methoxy-N,N-dimethylethanamine
SMILESCOC(C)N(C)C
InChIInChI=1S/C5H13NO/c1-5(7-4)6(2)3/h5H,1-4H3
InChIKeyBGGVJKGMDWLNRC-UHFFFAOYSA-N
XLogP0.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-methoxy-N,N-dimethylethanamine 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 1-methoxy-N,N-dimethylethanamine?
The IUPAC name of 1-methoxy-N,N-dimethylethanamine (CID 22505825) is 1-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for 1-methoxy-N,N-dimethylethanamine?
The canonical SMILES for 1-methoxy-N,N-dimethylethanamine is COC(C)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethylethanamine?
The InChIKey is BGGVJKGMDWLNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(7-4)6(2)3/h5H,1-4H3.
What are the key properties of 1-methoxy-N,N-dimethylethanamine?
1-methoxy-N,N-dimethylethanamine has a molecular weight of 103.16 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 22505825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).