5-(azetidin-3-yl)-1-octan-4-ylimidazole

C14H25N3 — CID 106022193

IUPAC5-(azetidin-3-yl)-1-octan-4-ylimidazole
SMILESCCCCC(CCC)n1cncc1C1CNC1
InChIInChI=1S/C14H25N3/c1-3-5-7-13(6-4-2)17-11-16-10-14(17)12-8-15-9-12/h10-13,15H,3-9H2,1-2H3
InChIKeyFFINWDJGRBIMBU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.10
Rot. Bonds7

About 5-(azetidin-3-yl)-1-octan-4-ylimidazole

5-(azetidin-3-yl)-1-octan-4-ylimidazole (PubChem CID 106022193) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-octan-4-ylimidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-octan-4-ylimidazole
PubChem CID106022193
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-(azetidin-3-yl)-1-octan-4-ylimidazole
SMILESCCCCC(CCC)n1cncc1C1CNC1
InChIInChI=1S/C14H25N3/c1-3-5-7-13(6-4-2)17-11-16-10-14(17)12-8-15-9-12/h10-13,15H,3-9H2,1-2H3
InChIKeyFFINWDJGRBIMBU-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azetidin-3-yl)-1-hexan-3-ylimidazole
CID 114719856
2-(3-octan-4-ylimidazol-4-yl)piperidine
CID 106022201
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole
CID 114720540
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
4-octan-4-yl-1H-1,2,4-triazole-5-thione
CID 106019341
3-(3-butylimidazol-4-yl)piperidine
CID 114702793

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-octan-4-ylimidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-octan-4-ylimidazole (CID 106022193) is 5-(azetidin-3-yl)-1-octan-4-ylimidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-octan-4-ylimidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-octan-4-ylimidazole is CCCCC(CCC)n1cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1-octan-4-ylimidazole?
The InChIKey is FFINWDJGRBIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-7-13(6-4-2)17-11-16-10-14(17)12-8-15-9-12/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1-octan-4-ylimidazole?
5-(azetidin-3-yl)-1-octan-4-ylimidazole has a molecular weight of 235.37 g/mol, XLogP of 3.10, 7 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-octan-4-ylimidazole is sourced from PubChem (CID 106022193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).