2-amino-1-(oxan-4-yl)ethanol

C7H15NO2 — CID 54594266

IUPAC2-amino-1-(oxan-4-yl)ethanol
SMILESNCC(O)C1CCOCC1
InChIInChI=1S/C7H15NO2/c8-5-7(9)6-1-3-10-4-2-6/h6-7,9H,1-5,8H2
InChIKeyYSRQSWIJJLAZMI-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.27
Rot. Bonds2

About 2-amino-1-(oxan-4-yl)ethanol

2-amino-1-(oxan-4-yl)ethanol (PubChem CID 54594266) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-amino-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(oxan-4-yl)ethanol
PubChem CID54594266
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-amino-1-(oxan-4-yl)ethanol
SMILESNCC(O)C1CCOCC1
InChIInChI=1S/C7H15NO2/c8-5-7(9)6-1-3-10-4-2-6/h6-7,9H,1-5,8H2
InChIKeyYSRQSWIJJLAZMI-UHFFFAOYSA-N
XLogP-0.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(oxan-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-amino-1-(oxan-4-yl)ethanol (CID 54594266) is 2-amino-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(oxan-4-yl)ethanol is NCC(O)C1CCOCC1.
What is the InChIKey of 2-amino-1-(oxan-4-yl)ethanol?
The InChIKey is YSRQSWIJJLAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c8-5-7(9)6-1-3-10-4-2-6/h6-7,9H,1-5,8H2.
What are the key properties of 2-amino-1-(oxan-4-yl)ethanol?
2-amino-1-(oxan-4-yl)ethanol has a molecular weight of 145.20 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 54594266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).