1-(prop-2-enoxymethylamino)ethanol

C6H13NO2 — CID 173480305

IUPAC1-(prop-2-enoxymethylamino)ethanol
SMILESC=CCOCNC(C)O
InChIInChI=1S/C6H13NO2/c1-3-4-9-5-7-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKeyBMNDUYYVVJVWSC-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.07
Rot. Bonds5

About 1-(prop-2-enoxymethylamino)ethanol

1-(prop-2-enoxymethylamino)ethanol (PubChem CID 173480305) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1-(prop-2-enoxymethylamino)ethanol.

Molecular Properties

Compound Name1-(prop-2-enoxymethylamino)ethanol
PubChem CID173480305
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1-(prop-2-enoxymethylamino)ethanol
SMILESC=CCOCNC(C)O
InChIInChI=1S/C6H13NO2/c1-3-4-9-5-7-6(2)8/h3,6-8H,1,4-5H2,2H3
InChIKeyBMNDUYYVVJVWSC-UHFFFAOYSA-N
XLogP0.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropanethioic S-acid;3-prop-2-enoxyprop-1-ene
CID 86631788
butane-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 22165027
3,5-dimethyl-1,7-bis(prop-2-enoxy)heptan-4-ol
CID 166514996
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
CID 87625662
CID 87625662
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile
CID 101034532
3-methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 58115661
1-prop-2-enylperoxyethanol
CID 10077060
Potassium allyloxide
CID 87828396
1-(3-deuterioprop-2-enoxy)propan-2-ol
CID 59895552

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethylamino)ethanol?
The IUPAC name of 1-(prop-2-enoxymethylamino)ethanol (CID 173480305) is 1-(prop-2-enoxymethylamino)ethanol.
What is the SMILES notation for 1-(prop-2-enoxymethylamino)ethanol?
The canonical SMILES for 1-(prop-2-enoxymethylamino)ethanol is C=CCOCNC(C)O.
What is the InChIKey of 1-(prop-2-enoxymethylamino)ethanol?
The InChIKey is BMNDUYYVVJVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-9-5-7-6(2)8/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-(prop-2-enoxymethylamino)ethanol?
1-(prop-2-enoxymethylamino)ethanol has a molecular weight of 131.17 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethylamino)ethanol is sourced from PubChem (CID 173480305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).