5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one

C12H21NO — CID 18320065

IUPAC5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
SMILESCCNC(C)C1CC(=O)C=CC1(C)C
InChIInChI=1S/C12H21NO/c1-5-13-9(2)11-8-10(14)6-7-12(11,3)4/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyOCRJANWKJVEROV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.16
Rot. Bonds3

About 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one

5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320065) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320065
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
SMILESCCNC(C)C1CC(=O)C=CC1(C)C
InChIInChI=1S/C12H21NO/c1-5-13-9(2)11-8-10(14)6-7-12(11,3)4/h6-7,9,11,13H,5,8H2,1-4H3
InChIKeyOCRJANWKJVEROV-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[1-(ethylamino)ethyl]-4,4-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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one (CID 18320065) is 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one is CCNC(C)C1CC(=O)C=CC1(C)C.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is OCRJANWKJVEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-13-9(2)11-8-10(14)6-7-12(11,3)4/h6-7,9,11,13H,5,8H2,1-4H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one?
5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).