2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone

C12H23NO — CID 141202829

IUPAC2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone
SMILESCN(C)CC(=O)C1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-12(2)7-5-6-10(8-12)11(14)9-13(3)4/h10H,5-9H2,1-4H3
InChIKeyTXVJGLJWVFDCLA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone

2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone (PubChem CID 141202829) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone
PubChem CID141202829
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone
SMILESCN(C)CC(=O)C1CCCC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-12(2)7-5-6-10(8-12)11(14)9-13(3)4/h10H,5-9H2,1-4H3
InChIKeyTXVJGLJWVFDCLA-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone (CID 141202829) is 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone is CN(C)CC(=O)C1CCCC(C)(C)C1.
What is the InChIKey of 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone?
The InChIKey is TXVJGLJWVFDCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)7-5-6-10(8-12)11(14)9-13(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone?
2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3,3-dimethylcyclohexyl)ethanone is sourced from PubChem (CID 141202829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).