2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone

C12H23NO — CID 79078321

IUPAC2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)CN(C)C)C1
InChIInChI=1S/C12H23NO/c1-4-10-6-5-7-11(8-10)12(14)9-13(2)3/h10-11H,4-9H2,1-3H3
InChIKeyCEYDTDNQROKHAY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds4

About 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone

2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone (PubChem CID 79078321) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
PubChem CID79078321
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
SMILESCCC1CCCC(C(=O)CN(C)C)C1
InChIInChI=1S/C12H23NO/c1-4-10-6-5-7-11(8-10)12(14)9-13(2)3/h10-11H,4-9H2,1-3H3
InChIKeyCEYDTDNQROKHAY-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone 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

2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
1-(3-ethylcyclohexyl)decan-1-one
CID 65401916
4-amino-1-(3-ethylcyclohexyl)pentan-1-one
CID 116571562
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
2-(1,3-dioxolan-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 103543718
1-(3-ethylcyclohexyl)-3-methylbut-2-en-1-one
CID 79190045
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
2-(1-adamantyl)-1-(3-ethylcyclohexyl)ethanone
CID 114976464
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone (CID 79078321) is 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone is CCC1CCCC(C(=O)CN(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone?
The InChIKey is CEYDTDNQROKHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10-6-5-7-11(8-10)12(14)9-13(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone?
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone is sourced from PubChem (CID 79078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).