2-(cyclohexylamino)-2-(oxan-4-yl)ethanol

C13H25NO2 — CID 62391437

IUPAC2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
SMILESOCC(NC1CCCCC1)C1CCOCC1
InChIInChI=1S/C13H25NO2/c15-10-13(11-6-8-16-9-7-11)14-12-4-2-1-3-5-12/h11-15H,1-10H2
InChIKeyHVTRXSZIBKTOOG-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds4

About 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol

2-(cyclohexylamino)-2-(oxan-4-yl)ethanol (PubChem CID 62391437) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
PubChem CID62391437
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
SMILESOCC(NC1CCCCC1)C1CCOCC1
InChIInChI=1S/C13H25NO2/c15-10-13(11-6-8-16-9-7-11)14-12-4-2-1-3-5-12/h11-15H,1-10H2
InChIKeyHVTRXSZIBKTOOG-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclohexylamino)-2-(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-(cyclohexylamino)-2-(oxan-4-yl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol (CID 62391437) is 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol is OCC(NC1CCCCC1)C1CCOCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol?
The InChIKey is HVTRXSZIBKTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-10-13(11-6-8-16-9-7-11)14-12-4-2-1-3-5-12/h11-15H,1-10H2.
What are the key properties of 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol?
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 62391437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).