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

C11H21NO — CID 79078106

IUPAC2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)CN(C)C)C1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-10(7-9)11(13)8-12(2)3/h9-10H,4-8H2,1-3H3
InChIKeyHXFRQVHGIIHYDW-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

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

2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone (PubChem CID 79078106) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone
PubChem CID79078106
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone
SMILESCC1CCCC(C(=O)CN(C)C)C1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-10(7-9)11(13)8-12(2)3/h9-10H,4-8H2,1-3H3
InChIKeyHXFRQVHGIIHYDW-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
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-methylcyclohexyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone (CID 79078106) is 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone is CC1CCCC(C(=O)CN(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is HXFRQVHGIIHYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-4-6-10(7-9)11(13)8-12(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone?
2-(dimethylamino)-1-(3-methylcyclohexyl)ethanone has a molecular weight of 183.29 g/mol, XLogP of 1.94, 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-methylcyclohexyl)ethanone is sourced from PubChem (CID 79078106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).