1-(oxan-4-yl)-4-propan-2-ylimidazole

C11H18N2O — CID 89408707

IUPAC1-(oxan-4-yl)-4-propan-2-ylimidazole
SMILESCC(C)c1cn(C2CCOCC2)cn1
InChIInChI=1S/C11H18N2O/c1-9(2)11-7-13(8-12-11)10-3-5-14-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyJVTMPLVRANCZIU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.36
Rot. Bonds2

About 1-(oxan-4-yl)-4-propan-2-ylimidazole

1-(oxan-4-yl)-4-propan-2-ylimidazole (PubChem CID 89408707) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-propan-2-ylimidazole
PubChem CID89408707
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(oxan-4-yl)-4-propan-2-ylimidazole
SMILESCC(C)c1cn(C2CCOCC2)cn1
InChIInChI=1S/C11H18N2O/c1-9(2)11-7-13(8-12-11)10-3-5-14-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyJVTMPLVRANCZIU-UHFFFAOYSA-N
XLogP2.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-propan-2-ylimidazole?
The IUPAC name of 1-(oxan-4-yl)-4-propan-2-ylimidazole (CID 89408707) is 1-(oxan-4-yl)-4-propan-2-ylimidazole.
What is the SMILES notation for 1-(oxan-4-yl)-4-propan-2-ylimidazole?
The canonical SMILES for 1-(oxan-4-yl)-4-propan-2-ylimidazole is CC(C)c1cn(C2CCOCC2)cn1.
What is the InChIKey of 1-(oxan-4-yl)-4-propan-2-ylimidazole?
The InChIKey is JVTMPLVRANCZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)11-7-13(8-12-11)10-3-5-14-6-4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-4-propan-2-ylimidazole?
1-(oxan-4-yl)-4-propan-2-ylimidazole has a molecular weight of 194.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-propan-2-ylimidazole is sourced from PubChem (CID 89408707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).