2-(oxan-2-ylmethylamino)ethanol

C8H17NO2 — CID 13288219

IUPAC2-(oxan-2-ylmethylamino)ethanol
SMILESOCCNCC1CCCCO1
InChIInChI=1S/C8H17NO2/c10-5-4-9-7-8-3-1-2-6-11-8/h8-10H,1-7H2
InChIKeyUKENOETWORYZSU-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds4

About 2-(oxan-2-ylmethylamino)ethanol

2-(oxan-2-ylmethylamino)ethanol (PubChem CID 13288219) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(oxan-2-ylmethylamino)ethanol
PubChem CID13288219
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(oxan-2-ylmethylamino)ethanol
SMILESOCCNCC1CCCCO1
InChIInChI=1S/C8H17NO2/c10-5-4-9-7-8-3-1-2-6-11-8/h8-10H,1-7H2
InChIKeyUKENOETWORYZSU-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylamino)ethanol?
The IUPAC name of 2-(oxan-2-ylmethylamino)ethanol (CID 13288219) is 2-(oxan-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(oxan-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(oxan-2-ylmethylamino)ethanol is OCCNCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethylamino)ethanol?
The InChIKey is UKENOETWORYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-5-4-9-7-8-3-1-2-6-11-8/h8-10H,1-7H2.
What are the key properties of 2-(oxan-2-ylmethylamino)ethanol?
2-(oxan-2-ylmethylamino)ethanol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylamino)ethanol is sourced from PubChem (CID 13288219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).