2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone

C13H23NO — CID 170787386

IUPAC2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H23NO/c1-13(2)9-14(10-13)12(15)8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKeyVXMUYJBPDHMBQY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.83
Rot. Bonds2

About 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone

2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone (PubChem CID 170787386) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
PubChem CID170787386
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H23NO/c1-13(2)9-14(10-13)12(15)8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKeyVXMUYJBPDHMBQY-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-cyclohexyl-1-(3-methylsulfonylpyrrolidin-1-yl)ethanone
CID 90584553
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cycloheptylethanone
CID 106839467
2-cyclopentyl-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106671365

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone (CID 170787386) is 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone is CC1(C)CN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone?
The InChIKey is VXMUYJBPDHMBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2)9-14(10-13)12(15)8-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone?
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone has a molecular weight of 209.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone is sourced from PubChem (CID 170787386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).