2-[methoxy(prop-2-enyl)amino]ethanol

C6H13NO2 — CID 126993047

IUPAC2-[methoxy(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)OC
InChIInChI=1S/C6H13NO2/c1-3-4-7(9-2)5-6-8/h3,8H,1,4-6H2,2H3
InChIKeyMBSPWDZORNRLLE-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.03
Rot. Bonds5

About 2-[methoxy(prop-2-enyl)amino]ethanol

2-[methoxy(prop-2-enyl)amino]ethanol (PubChem CID 126993047) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2-[methoxy(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[methoxy(prop-2-enyl)amino]ethanol
PubChem CID126993047
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2-[methoxy(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)OC
InChIInChI=1S/C6H13NO2/c1-3-4-7(9-2)5-6-8/h3,8H,1,4-6H2,2H3
InChIKeyMBSPWDZORNRLLE-UHFFFAOYSA-N
XLogP0.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[methoxy(prop-2-enyl)amino]ethanol (CID 126993047) is 2-[methoxy(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[methoxy(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[methoxy(prop-2-enyl)amino]ethanol is C=CCN(CCO)OC.
What is the InChIKey of 2-[methoxy(prop-2-enyl)amino]ethanol?
The InChIKey is MBSPWDZORNRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-7(9-2)5-6-8/h3,8H,1,4-6H2,2H3.
What are the key properties of 2-[methoxy(prop-2-enyl)amino]ethanol?
2-[methoxy(prop-2-enyl)amino]ethanol has a molecular weight of 131.17 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 126993047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).