(Z)-2-methoxy-N-methylethenamine

C4H9NO — CID 59786651

IUPAC(Z)-2-methoxy-N-methylethenamine
SMILESCN/C=C\OC
InChIInChI=1S/C4H9NO/c1-5-3-4-6-2/h3-5H,1-2H3/b4-3-
InChIKeyREPXTQUNMQJDIN-ARJAWSKDSA-N
MW87.12 g/mol
LogP0.32
Rot. Bonds2

About (Z)-2-methoxy-N-methylethenamine

(Z)-2-methoxy-N-methylethenamine (PubChem CID 59786651) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (Z)-2-methoxy-N-methylethenamine.

Molecular Properties

Compound Name(Z)-2-methoxy-N-methylethenamine
PubChem CID59786651
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(Z)-2-methoxy-N-methylethenamine
SMILESCN/C=C\OC
InChIInChI=1S/C4H9NO/c1-5-3-4-6-2/h3-5H,1-2H3/b4-3-
InChIKeyREPXTQUNMQJDIN-ARJAWSKDSA-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 (Z)-2-methoxy-N-methylethenamine?
The IUPAC name of (Z)-2-methoxy-N-methylethenamine (CID 59786651) is (Z)-2-methoxy-N-methylethenamine.
What is the SMILES notation for (Z)-2-methoxy-N-methylethenamine?
The canonical SMILES for (Z)-2-methoxy-N-methylethenamine is CN/C=C\OC.
What is the InChIKey of (Z)-2-methoxy-N-methylethenamine?
The InChIKey is REPXTQUNMQJDIN-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9NO/c1-5-3-4-6-2/h3-5H,1-2H3/b4-3-.
What are the key properties of (Z)-2-methoxy-N-methylethenamine?
(Z)-2-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 (Z)-2-methoxy-N-methylethenamine is sourced from PubChem (CID 59786651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).