1-methoxy-N-methylethenamine

C4H9NO — CID 22975960

IUPAC1-methoxy-N-methylethenamine
SMILESC=C(NC)OC
InChIInChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3
InChIKeyLLPPRFWNVOUPJJ-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.32
Rot. Bonds2

About 1-methoxy-N-methylethenamine

1-methoxy-N-methylethenamine (PubChem CID 22975960) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 1-methoxy-N-methylethenamine.

Molecular Properties

Compound Name1-methoxy-N-methylethenamine
PubChem CID22975960
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name1-methoxy-N-methylethenamine
SMILESC=C(NC)OC
InChIInChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3
InChIKeyLLPPRFWNVOUPJJ-UHFFFAOYSA-N
XLogP0.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methylethenamine?
The IUPAC name of 1-methoxy-N-methylethenamine (CID 22975960) is 1-methoxy-N-methylethenamine.
What is the SMILES notation for 1-methoxy-N-methylethenamine?
The canonical SMILES for 1-methoxy-N-methylethenamine is C=C(NC)OC.
What is the InChIKey of 1-methoxy-N-methylethenamine?
The InChIKey is LLPPRFWNVOUPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3.
What are the key properties of 1-methoxy-N-methylethenamine?
1-methoxy-N-methylethenamine has a molecular weight of 87.12 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methylethenamine is sourced from PubChem (CID 22975960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).