4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol

C10H19NO2 — CID 21325366

IUPAC4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol
SMILESCN(C)CCC1=CCC(O)C(O)C1
InChIInChI=1S/C10H19NO2/c1-11(2)6-5-8-3-4-9(12)10(13)7-8/h3,9-10,12-13H,4-7H2,1-2H3
InChIKeyMUYOTZMDWBKXOU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.38
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol

4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol (PubChem CID 21325366) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol
PubChem CID21325366
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol
SMILESCN(C)CCC1=CCC(O)C(O)C1
InChIInChI=1S/C10H19NO2/c1-11(2)6-5-8-3-4-9(12)10(13)7-8/h3,9-10,12-13H,4-7H2,1-2H3
InChIKeyMUYOTZMDWBKXOU-UHFFFAOYSA-N
XLogP0.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol 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 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol?
The IUPAC name of 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol (CID 21325366) is 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol is CN(C)CCC1=CCC(O)C(O)C1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol?
The InChIKey is MUYOTZMDWBKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2)6-5-8-3-4-9(12)10(13)7-8/h3,9-10,12-13H,4-7H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol?
4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol has a molecular weight of 185.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 21325366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).