1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone

C15H27NO2 — CID 111540286

IUPAC1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1CCCC(C)N(C(=O)CC2(O)CCCC2)C1
InChIInChI=1S/C15H27NO2/c1-12-6-5-7-13(2)16(11-12)14(17)10-15(18)8-3-4-9-15/h12-13,18H,3-11H2,1-2H3
InChIKeyAKUOLTHHVGRNEF-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.72
Rot. Bonds2

About 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone

1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone (PubChem CID 111540286) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
PubChem CID111540286
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
SMILESCC1CCCC(C)N(C(=O)CC2(O)CCCC2)C1
InChIInChI=1S/C15H27NO2/c1-12-6-5-7-13(2)16(11-12)14(17)10-15(18)8-3-4-9-15/h12-13,18H,3-11H2,1-2H3
InChIKeyAKUOLTHHVGRNEF-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[2-(1-hydroxycyclopentyl)ethyl]-N,1-dimethylazepane-2-carboxamide
CID 125526348
N-(2,2-difluoroethyl)-2-(1-hydroxycyclopentyl)-N-propan-2-ylacetamide
CID 112349543
1-(6-Butyl-7-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 70322326
1-(3-Hydroxy-3-methylbutyl)-5-propylazepan-2-one
CID 79362016
(2,2-Dimethylcyclopentyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406138
Cyclopentyl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406748
1-(Azepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111430161
2-(1-Hydroxycyclopentyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 111430171
N-cyclohexyl-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430174
2-(1-hydroxycyclopentyl)-N-(3-methylbutan-2-yl)acetamide
CID 111430223
1-(3,5-Dimethylpiperidin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111430230
2-(1-hydroxycyclopentyl)-N-(5-methylhexan-2-yl)acetamide
CID 111430415

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone (CID 111540286) is 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone is CC1CCCC(C)N(C(=O)CC2(O)CCCC2)C1.
What is the InChIKey of 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
The InChIKey is AKUOLTHHVGRNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12-6-5-7-13(2)16(11-12)14(17)10-15(18)8-3-4-9-15/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone?
1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylazepan-1-yl)-2-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 111540286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).