3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one

C11H19NO2 — CID 3713725

IUPAC3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one
SMILESCN(CCO)C1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO2/c1-11(2)7-9(6-10(14)8-11)12(3)4-5-13/h6,13H,4-5,7-8H2,1-3H3
InChIKeyPOFHGRGCONVFCZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one

3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 3713725) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one
PubChem CID3713725
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one
SMILESCN(CCO)C1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C11H19NO2/c1-11(2)7-9(6-10(14)8-11)12(3)4-5-13/h6,13H,4-5,7-8H2,1-3H3
InChIKeyPOFHGRGCONVFCZ-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
3-(2-Hydroxyethylamino)-5,5-dimethyl-2-cyclohexen-1-one
CID 333140
2-Cyclohexenone,3-(N,N-dimethylamino)-5,5-dimethyl-
CID 141609
5,5-Dimethyl-3-(diethylamino)cyclohex-2-en-1-one
CID 144103
3-(3-Hydroxypropylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 86211085
3-[(2-Methoxyethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 4056701
2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
CID 4686337
5,5-Dimethyl-3-(2-hydroxyethylamino)-2-cyclohexen-1-one hydrochloride
CID 24213352
4,4-Dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
CID 57223661
Methyl 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)-methylamino]acetate
CID 134405410
Ethane;3-[ethyl(propyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 154691811
3-(4-Hydroxypiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 154691833

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CID 3713725) is 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one is CN(CCO)C1=CC(=O)CC(C)(C)C1.
What is the InChIKey of 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is POFHGRGCONVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)7-9(6-10(14)8-11)12(3)4-5-13/h6,13H,4-5,7-8H2,1-3H3.
What are the key properties of 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 3713725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).