5-(azetidin-3-yl)-1-hexan-3-ylimidazole

C12H21N3 — CID 114719856

IUPAC5-(azetidin-3-yl)-1-hexan-3-ylimidazole
SMILESCCCC(CC)n1cncc1C1CNC1
InChIInChI=1S/C12H21N3/c1-3-5-11(4-2)15-9-14-8-12(15)10-6-13-7-10/h8-11,13H,3-7H2,1-2H3
InChIKeyDJIPIZFWLMHYRR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds5

About 5-(azetidin-3-yl)-1-hexan-3-ylimidazole

5-(azetidin-3-yl)-1-hexan-3-ylimidazole (PubChem CID 114719856) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-hexan-3-ylimidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-hexan-3-ylimidazole
PubChem CID114719856
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(azetidin-3-yl)-1-hexan-3-ylimidazole
SMILESCCCC(CC)n1cncc1C1CNC1
InChIInChI=1S/C12H21N3/c1-3-5-11(4-2)15-9-14-8-12(15)10-6-13-7-10/h8-11,13H,3-7H2,1-2H3
InChIKeyDJIPIZFWLMHYRR-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-hexan-3-ylimidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-hexan-3-ylimidazole (CID 114719856) is 5-(azetidin-3-yl)-1-hexan-3-ylimidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-hexan-3-ylimidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-hexan-3-ylimidazole is CCCC(CC)n1cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-hexan-3-ylimidazole?
The InChIKey is DJIPIZFWLMHYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-11(4-2)15-9-14-8-12(15)10-6-13-7-10/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1-hexan-3-ylimidazole?
5-(azetidin-3-yl)-1-hexan-3-ylimidazole has a molecular weight of 207.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-hexan-3-ylimidazole is sourced from PubChem (CID 114719856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).