1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone

C12H23NO — CID 116562629

IUPAC1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C12H23NO/c1-4-13-8-12(14)11-6-9(2)5-10(3)7-11/h9-11,13H,4-8H2,1-3H3
InChIKeyNWZXITQBNFUIRL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds4

About 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone

1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone (PubChem CID 116562629) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone
PubChem CID116562629
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C12H23NO/c1-4-13-8-12(14)11-6-9(2)5-10(3)7-11/h9-11,13H,4-8H2,1-3H3
InChIKeyNWZXITQBNFUIRL-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-(3-methylcyclobutyl)acetamide
CID 115739780
1-(3-methylcyclohexyl)-2-(propylamino)ethanone
CID 116562801
1-(3,5-dimethylcyclohexyl)-2-ethylsulfanylethanone
CID 65131203
1-(3,5-dimethylcyclohexyl)-2-methoxyethanone
CID 64729888
2-(ethylamino)-1-(1-methylpiperidin-3-yl)ethanone
CID 116916675
1-(3,5-dimethylcyclohexyl)-3-propoxypropan-1-one
CID 105105162
2-(ethylamino)-N-(3-methylcyclopentyl)acetamide
CID 114546128
N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
CID 131134005
(3,5-dimethylcyclohexyl) 3-(ethylamino)propanoate
CID 64732628
3-amino-1-(3,5-dimethylcyclohexyl)-4-methylpentan-1-one
CID 116606386
1-(3,5-dimethylcyclohexyl)-2-methyl-2-methylsulfonylpropan-1-one
CID 114975262
3-methyl-N'-propanoylcyclobutane-1-carbohydrazide
CID 131131894

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone (CID 116562629) is 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone is CCNCC(=O)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone?
The InChIKey is NWZXITQBNFUIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-8-12(14)11-6-9(2)5-10(3)7-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone?
1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-(ethylamino)ethanone is sourced from PubChem (CID 116562629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).