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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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).