(1-ethoxyethylamino)methanol

C5H13NO2 — CID 18004319

IUPAC(1-ethoxyethylamino)methanol
SMILESCCOC(C)NCO
InChIInChI=1S/C5H13NO2/c1-3-8-5(2)6-4-7/h5-7H,3-4H2,1-2H3
InChIKeyVECQPDHHOSTOED-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.09
Rot. Bonds4

About (1-ethoxyethylamino)methanol

(1-ethoxyethylamino)methanol (PubChem CID 18004319) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (1-ethoxyethylamino)methanol.

Molecular Properties

Compound Name(1-ethoxyethylamino)methanol
PubChem CID18004319
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(1-ethoxyethylamino)methanol
SMILESCCOC(C)NCO
InChIInChI=1S/C5H13NO2/c1-3-8-5(2)6-4-7/h5-7H,3-4H2,1-2H3
InChIKeyVECQPDHHOSTOED-UHFFFAOYSA-N
XLogP-0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxyethylamino)methanol?
The IUPAC name of (1-ethoxyethylamino)methanol (CID 18004319) is (1-ethoxyethylamino)methanol.
What is the SMILES notation for (1-ethoxyethylamino)methanol?
The canonical SMILES for (1-ethoxyethylamino)methanol is CCOC(C)NCO.
What is the InChIKey of (1-ethoxyethylamino)methanol?
The InChIKey is VECQPDHHOSTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-3-8-5(2)6-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of (1-ethoxyethylamino)methanol?
(1-ethoxyethylamino)methanol has a molecular weight of 119.16 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxyethylamino)methanol is sourced from PubChem (CID 18004319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).