1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine

C7H13NO3 — CID 57112600

IUPAC1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine
SMILESC=C(NOCC1CO1)OCC
InChIInChI=1S/C7H13NO3/c1-3-9-6(2)8-11-5-7-4-10-7/h7-8H,2-5H2,1H3
InChIKeyDBSVAPCDLSTHNV-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.41
Rot. Bonds6

About 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine

1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine (PubChem CID 57112600) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine.

Molecular Properties

Compound Name1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine
PubChem CID57112600
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine
SMILESC=C(NOCC1CO1)OCC
InChIInChI=1S/C7H13NO3/c1-3-9-6(2)8-11-5-7-4-10-7/h7-8H,2-5H2,1H3
InChIKeyDBSVAPCDLSTHNV-UHFFFAOYSA-N
XLogP0.41
TPSA43.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(oxiran-2-ylmethoxy)prop-2-enoate
CID 141256557
N-(oxiran-2-ylmethoxy)methanamine
CID 154141939
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
2-(3,3-dimethylpent-1-en-2-yloxymethyl)oxirane
CID 59422040
2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane
CID 157093919
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(ethylperoxymethyl)oxirane
CID 134589509
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-[[(2E)-4-methylpenta-2,4-dien-2-yl]oxymethyl]oxirane
CID 122500456
oxiran-2-ylmethyl 2-methylidene-4-oxopentanoate
CID 135332305

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine?
The IUPAC name of 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine (CID 57112600) is 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine.
What is the SMILES notation for 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine?
The canonical SMILES for 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine is C=C(NOCC1CO1)OCC.
What is the InChIKey of 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine?
The InChIKey is DBSVAPCDLSTHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-9-6(2)8-11-5-7-4-10-7/h7-8H,2-5H2,1H3.
What are the key properties of 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine?
1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine has a molecular weight of 159.18 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(oxiran-2-ylmethoxy)ethenamine is sourced from PubChem (CID 57112600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).