1-methoxy-N,N-dimethylethenamine

C5H11NO — CID 13284466

IUPAC1-methoxy-N,N-dimethylethenamine
SMILESC=C(OC)N(C)C
InChIInChI=1S/C5H11NO/c1-5(7-4)6(2)3/h1H2,2-4H3
InChIKeyJTZFZDSUVLTEHV-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.67
Rot. Bonds2

About 1-methoxy-N,N-dimethylethenamine

1-methoxy-N,N-dimethylethenamine (PubChem CID 13284466) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethylethenamine
PubChem CID13284466
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-methoxy-N,N-dimethylethenamine
SMILESC=C(OC)N(C)C
InChIInChI=1S/C5H11NO/c1-5(7-4)6(2)3/h1H2,2-4H3
InChIKeyJTZFZDSUVLTEHV-UHFFFAOYSA-N
XLogP0.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-methoxy-N,N-dimethylethenamine 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-dimethylethenamine?
The IUPAC name of 1-methoxy-N,N-dimethylethenamine (CID 13284466) is 1-methoxy-N,N-dimethylethenamine.
What is the SMILES notation for 1-methoxy-N,N-dimethylethenamine?
The canonical SMILES for 1-methoxy-N,N-dimethylethenamine is C=C(OC)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethylethenamine?
The InChIKey is JTZFZDSUVLTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(7-4)6(2)3/h1H2,2-4H3.
What are the key properties of 1-methoxy-N,N-dimethylethenamine?
1-methoxy-N,N-dimethylethenamine has a molecular weight of 101.15 g/mol, XLogP of 0.67, 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-dimethylethenamine is sourced from PubChem (CID 13284466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).