2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole

C15H24N2O — CID 102846459

IUPAC2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
SMILESCCc1nccn1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H24N2O/c1-2-14-16-10-11-17(14)12-13-6-9-15(18-13)7-4-3-5-8-15/h10-11,13H,2-9,12H2,1H3
InChIKeyOAFDPAVBAYAPCA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.33
Rot. Bonds3

About 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole

2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole (PubChem CID 102846459) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
PubChem CID102846459
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
SMILESCCc1nccn1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H24N2O/c1-2-14-16-10-11-17(14)12-13-6-9-15(18-13)7-4-3-5-8-15/h10-11,13H,2-9,12H2,1H3
InChIKeyOAFDPAVBAYAPCA-UHFFFAOYSA-N
XLogP3.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(oxiran-2-ylmethyl)imidazole
CID 61404960
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
CID 102901058
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 125161054
N-[[5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62441582
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 116522963
N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
CID 102899593
2-ethyl-1-[(1-fluorocyclohexyl)methyl]imidazole
CID 126847949
6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 102899759
3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 164636026

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The IUPAC name of 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole (CID 102846459) is 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The canonical SMILES for 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole is CCc1nccn1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
The InChIKey is OAFDPAVBAYAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-14-16-10-11-17(14)12-13-6-9-15(18-13)7-4-3-5-8-15/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole?
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole has a molecular weight of 248.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole is sourced from PubChem (CID 102846459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).