2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone

C12H21NO — CID 91803980

IUPAC2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone
SMILESCN(C)CC(=O)C1=CCC(C)(C)CC1
InChIInChI=1S/C12H21NO/c1-12(2)7-5-10(6-8-12)11(14)9-13(3)4/h5H,6-9H2,1-4H3
InChIKeyPCMAKKSWILVIIK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds3

About 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone

2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone (PubChem CID 91803980) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone
PubChem CID91803980
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone
SMILESCN(C)CC(=O)C1=CCC(C)(C)CC1
InChIInChI=1S/C12H21NO/c1-12(2)7-5-10(6-8-12)11(14)9-13(3)4/h5H,6-9H2,1-4H3
InChIKeyPCMAKKSWILVIIK-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 52941964
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5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride
CID 362665
6-(Dimethylaminomethyl)-3,5,5-trimethylcyclo-hex-2-en-1-one hydrochloride
CID 129747816
3-[2-(Dimethylamino)ethyl]-5,5-dimethylcyclo-hex-2-en-1-one hydrochloride
CID 129748147
5,5-Dimethyl-3-(2-piperidinoethyl)cyclohex-2-en-1-one hydrochloride
CID 129748834
5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one
CID 362666
3-(1-Propyl-piperidin-3-yl)-cyclohex-2-enone
CID 9964524
3-[(Dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320057
2-[(Dimethylamino)methyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320088
3-[(Dimethylamino)methyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320131
2-[(Dimethylamino)methyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320207

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone (CID 91803980) is 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone is CN(C)CC(=O)C1=CCC(C)(C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone?
The InChIKey is PCMAKKSWILVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2)7-5-10(6-8-12)11(14)9-13(3)4/h5H,6-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone?
2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4,4-dimethylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 91803980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).