1-[2-(dimethylamino)cyclohexyl]ethanone

C10H19NO — CID 23531868

IUPAC1-[2-(dimethylamino)cyclohexyl]ethanone
SMILESCC(=O)C1CCCCC1N(C)C
InChIInChI=1S/C10H19NO/c1-8(12)9-6-4-5-7-10(9)11(2)3/h9-10H,4-7H2,1-3H3
InChIKeyABXYSWIJAJHTND-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About 1-[2-(dimethylamino)cyclohexyl]ethanone

1-[2-(dimethylamino)cyclohexyl]ethanone (PubChem CID 23531868) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[2-(dimethylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)cyclohexyl]ethanone
PubChem CID23531868
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[2-(dimethylamino)cyclohexyl]ethanone
SMILESCC(=O)C1CCCCC1N(C)C
InChIInChI=1S/C10H19NO/c1-8(12)9-6-4-5-7-10(9)11(2)3/h9-10H,4-7H2,1-3H3
InChIKeyABXYSWIJAJHTND-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)cyclohexyl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)cyclohexyl]ethanone (CID 23531868) is 1-[2-(dimethylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)cyclohexyl]ethanone is CC(=O)C1CCCCC1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)cyclohexyl]ethanone?
The InChIKey is ABXYSWIJAJHTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)9-6-4-5-7-10(9)11(2)3/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)cyclohexyl]ethanone?
1-[2-(dimethylamino)cyclohexyl]ethanone has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)cyclohexyl]ethanone is sourced from PubChem (CID 23531868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).