2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine

C12H23NO2 — CID 65350927

IUPAC2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine
SMILESNC(CC1CCCCC1)C1COCCO1
InChIInChI=1S/C12H23NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2
InChIKeyWRUSSQDCGCXMEA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds3

About 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine

2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine (PubChem CID 65350927) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine
PubChem CID65350927
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine
SMILESNC(CC1CCCCC1)C1COCCO1
InChIInChI=1S/C12H23NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2
InChIKeyWRUSSQDCGCXMEA-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine 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-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine (CID 65350927) is 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine is NC(CC1CCCCC1)C1COCCO1.
What is the InChIKey of 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine?
The InChIKey is WRUSSQDCGCXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2.
What are the key properties of 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine?
2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine is sourced from PubChem (CID 65350927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).