2-[1-methoxyethenyl(methyl)amino]ethanol

C6H13NO2 — CID 89417630

IUPAC2-[1-methoxyethenyl(methyl)amino]ethanol
SMILESC=C(OC)N(C)CCO
InChIInChI=1S/C6H13NO2/c1-6(9-3)7(2)4-5-8/h8H,1,4-5H2,2-3H3
InChIKeyNLTNXDBGDRGWGR-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.03
Rot. Bonds4

About 2-[1-methoxyethenyl(methyl)amino]ethanol

2-[1-methoxyethenyl(methyl)amino]ethanol (PubChem CID 89417630) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-[1-methoxyethenyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-methoxyethenyl(methyl)amino]ethanol
PubChem CID89417630
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-[1-methoxyethenyl(methyl)amino]ethanol
SMILESC=C(OC)N(C)CCO
InChIInChI=1S/C6H13NO2/c1-6(9-3)7(2)4-5-8/h8H,1,4-5H2,2-3H3
InChIKeyNLTNXDBGDRGWGR-UHFFFAOYSA-N
XLogP0.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[1-methoxyethenyl(methyl)amino]ethanol?
The IUPAC name of 2-[1-methoxyethenyl(methyl)amino]ethanol (CID 89417630) is 2-[1-methoxyethenyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[1-methoxyethenyl(methyl)amino]ethanol?
The canonical SMILES for 2-[1-methoxyethenyl(methyl)amino]ethanol is C=C(OC)N(C)CCO.
What is the InChIKey of 2-[1-methoxyethenyl(methyl)amino]ethanol?
The InChIKey is NLTNXDBGDRGWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(9-3)7(2)4-5-8/h8H,1,4-5H2,2-3H3.
What are the key properties of 2-[1-methoxyethenyl(methyl)amino]ethanol?
2-[1-methoxyethenyl(methyl)amino]ethanol has a molecular weight of 131.18 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxyethenyl(methyl)amino]ethanol is sourced from PubChem (CID 89417630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).