1-(oxolan-2-ylmethylamino)ethanol

C7H15NO2 — CID 19930548

IUPAC1-(oxolan-2-ylmethylamino)ethanol
SMILESCC(O)NCC1CCCO1
InChIInChI=1S/C7H15NO2/c1-6(9)8-5-7-3-2-4-10-7/h6-9H,2-5H2,1H3
InChIKeyGGUWGPXBYDZFFH-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.09
Rot. Bonds3

About 1-(oxolan-2-ylmethylamino)ethanol

1-(oxolan-2-ylmethylamino)ethanol (PubChem CID 19930548) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylamino)ethanol
PubChem CID19930548
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(oxolan-2-ylmethylamino)ethanol
SMILESCC(O)NCC1CCCO1
InChIInChI=1S/C7H15NO2/c1-6(9)8-5-7-3-2-4-10-7/h6-9H,2-5H2,1H3
InChIKeyGGUWGPXBYDZFFH-UHFFFAOYSA-N
XLogP0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.09
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-(oxolan-2-ylmethylamino)ethanol?
The IUPAC name of 1-(oxolan-2-ylmethylamino)ethanol (CID 19930548) is 1-(oxolan-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(oxolan-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(oxolan-2-ylmethylamino)ethanol is CC(O)NCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethylamino)ethanol?
The InChIKey is GGUWGPXBYDZFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(9)8-5-7-3-2-4-10-7/h6-9H,2-5H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethylamino)ethanol?
1-(oxolan-2-ylmethylamino)ethanol has a molecular weight of 145.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylamino)ethanol is sourced from PubChem (CID 19930548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).