2-[(2,2-dimethyloxan-4-yl)amino]ethanol

C9H19NO2 — CID 14407589

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]ethanol
SMILESCC1(C)CC(NCCO)CCO1
InChIInChI=1S/C9H19NO2/c1-9(2)7-8(3-6-12-9)10-4-5-11/h8,10-11H,3-7H2,1-2H3
InChIKeyMJTNLTVIJFKLBM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds3

About 2-[(2,2-dimethyloxan-4-yl)amino]ethanol

2-[(2,2-dimethyloxan-4-yl)amino]ethanol (PubChem CID 14407589) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]ethanol
PubChem CID14407589
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]ethanol
SMILESCC1(C)CC(NCCO)CCO1
InChIInChI=1S/C9H19NO2/c1-9(2)7-8(3-6-12-9)10-4-5-11/h8,10-11H,3-7H2,1-2H3
InChIKeyMJTNLTVIJFKLBM-UHFFFAOYSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-dimethyloxan-4-yl)amino]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-[(2,2-dimethyloxan-4-yl)amino]ethanol?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]ethanol (CID 14407589) is 2-[(2,2-dimethyloxan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]ethanol is CC1(C)CC(NCCO)CCO1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
The InChIKey is MJTNLTVIJFKLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)7-8(3-6-12-9)10-4-5-11/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]ethanol?
2-[(2,2-dimethyloxan-4-yl)amino]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]ethanol is sourced from PubChem (CID 14407589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).