N,1-dimethoxy-N-methylethenamine

C5H11NO2 — CID 89254907

IUPACN,1-dimethoxy-N-methylethenamine
SMILESC=C(OC)N(C)OC
InChIInChI=1S/C5H11NO2/c1-5(7-3)6(2)8-4/h1H2,2-4H3
InChIKeyYSHRVSCNDBYJPS-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.60
Rot. Bonds3

About N,1-dimethoxy-N-methylethenamine

N,1-dimethoxy-N-methylethenamine (PubChem CID 89254907) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N,1-dimethoxy-N-methylethenamine.

Molecular Properties

Compound NameN,1-dimethoxy-N-methylethenamine
PubChem CID89254907
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN,1-dimethoxy-N-methylethenamine
SMILESC=C(OC)N(C)OC
InChIInChI=1S/C5H11NO2/c1-5(7-3)6(2)8-4/h1H2,2-4H3
InChIKeyYSHRVSCNDBYJPS-UHFFFAOYSA-N
XLogP0.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-N,N-dimethylethen-1-amine
CID 13284466
1-ethoxy-N,N-dimethylethenamine oxide
CID 10103207
1-Methoxyethenyl(methyl)azanide;ruthenium(1+)
CID 57907915
1-Methoxyethenyl(trimethyl)azanium
CID 102445678
Methane;1-methoxyethenyl(methyl)azanide;ruthenium(1+)
CID 159247206
1-[Methoxy(methyl)amino]ethenol
CID 11367044
N-(1-methoxyethenyl)-N-methylnitrous amide
CID 12630792
Potassium 1-[methoxy(methyl)amino]ethenolate
CID 23680951
1-methoxy-N-(methoxymethyl)-N-methylethenamine
CID 144467039

Frequently Asked Questions

What is the IUPAC name of N,1-dimethoxy-N-methylethenamine?
The IUPAC name of N,1-dimethoxy-N-methylethenamine (CID 89254907) is N,1-dimethoxy-N-methylethenamine.
What is the SMILES notation for N,1-dimethoxy-N-methylethenamine?
The canonical SMILES for N,1-dimethoxy-N-methylethenamine is C=C(OC)N(C)OC.
What is the InChIKey of N,1-dimethoxy-N-methylethenamine?
The InChIKey is YSHRVSCNDBYJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(7-3)6(2)8-4/h1H2,2-4H3.
What are the key properties of N,1-dimethoxy-N-methylethenamine?
N,1-dimethoxy-N-methylethenamine has a molecular weight of 117.15 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethoxy-N-methylethenamine is sourced from PubChem (CID 89254907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).