1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine

C8H17NO2 — CID 134863336

IUPAC1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine
SMILESC=CCOC(C)(OC)N(C)C
InChIInChI=1S/C8H17NO2/c1-6-7-11-8(2,10-5)9(3)4/h6H,1,7H2,2-5H3
InChIKeyDZLHEVIUAFOFBB-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds5

About 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine

1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine (PubChem CID 134863336) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine
PubChem CID134863336
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine
SMILESC=CCOC(C)(OC)N(C)C
InChIInChI=1S/C8H17NO2/c1-6-7-11-8(2,10-5)9(3)4/h6H,1,7H2,2-5H3
InChIKeyDZLHEVIUAFOFBB-UHFFFAOYSA-N
XLogP1.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine 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-dimethyl-1-prop-2-enoxyethanamine?
The IUPAC name of 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine (CID 134863336) is 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine.
What is the SMILES notation for 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine?
The canonical SMILES for 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine is C=CCOC(C)(OC)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine?
The InChIKey is DZLHEVIUAFOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-7-11-8(2,10-5)9(3)4/h6H,1,7H2,2-5H3.
What are the key properties of 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine?
1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine has a molecular weight of 159.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethyl-1-prop-2-enoxyethanamine is sourced from PubChem (CID 134863336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).