2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole

C13H20N2O — CID 79919368

IUPAC2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
SMILESCCc1nccn1C1CCOC2(CCC2)C1
InChIInChI=1S/C13H20N2O/c1-2-12-14-7-8-15(12)11-4-9-16-13(10-11)5-3-6-13/h7-8,11H,2-6,9-10H2,1H3
InChIKeyMLOHFXIPZAOAFC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.72
Rot. Bonds2

About 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole

2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole (PubChem CID 79919368) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
PubChem CID79919368
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
SMILESCCc1nccn1C1CCOC2(CCC2)C1
InChIInChI=1S/C13H20N2O/c1-2-12-14-7-8-15(12)11-4-9-16-13(10-11)5-3-6-13/h7-8,11H,2-6,9-10H2,1H3
InChIKeyMLOHFXIPZAOAFC-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79920205
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CID 64776318
1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxamide
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3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639003
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 154823510
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
CID 128686368
ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79649099
4-(2-ethylimidazol-1-yl)-1-methylazepane
CID 84734196
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
CID 79920836
5,6-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)benzimidazole
CID 116618591
5-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 116811722

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole?
The IUPAC name of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole (CID 79919368) is 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole.
What is the SMILES notation for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole?
The canonical SMILES for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole is CCc1nccn1C1CCOC2(CCC2)C1.
What is the InChIKey of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole?
The InChIKey is MLOHFXIPZAOAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12-14-7-8-15(12)11-4-9-16-13(10-11)5-3-6-13/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole?
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole has a molecular weight of 220.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole is sourced from PubChem (CID 79919368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).