1-(azetidin-3-yl)-2-propan-2-ylimidazole

C9H15N3 — CID 62786118

IUPAC1-(azetidin-3-yl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1C1CNC1
InChIInChI=1S/C9H15N3/c1-7(2)9-11-3-4-12(9)8-5-10-6-8/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyPOMQFADFYKOPKQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.15
Rot. Bonds2

About 1-(azetidin-3-yl)-2-propan-2-ylimidazole

1-(azetidin-3-yl)-2-propan-2-ylimidazole (PubChem CID 62786118) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-propan-2-ylimidazole
PubChem CID62786118
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(azetidin-3-yl)-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1C1CNC1
InChIInChI=1S/C9H15N3/c1-7(2)9-11-3-4-12(9)8-5-10-6-8/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyPOMQFADFYKOPKQ-UHFFFAOYSA-N
XLogP1.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-propan-2-ylimidazole?
The IUPAC name of 1-(azetidin-3-yl)-2-propan-2-ylimidazole (CID 62786118) is 1-(azetidin-3-yl)-2-propan-2-ylimidazole.
What is the SMILES notation for 1-(azetidin-3-yl)-2-propan-2-ylimidazole?
The canonical SMILES for 1-(azetidin-3-yl)-2-propan-2-ylimidazole is CC(C)c1nccn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-propan-2-ylimidazole?
The InChIKey is POMQFADFYKOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)9-11-3-4-12(9)8-5-10-6-8/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-2-propan-2-ylimidazole?
1-(azetidin-3-yl)-2-propan-2-ylimidazole has a molecular weight of 165.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-propan-2-ylimidazole is sourced from PubChem (CID 62786118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).