2-(3-cyclooctylimidazol-4-yl)ethanamine

C13H23N3 — CID 114716513

IUPAC2-(3-cyclooctylimidazol-4-yl)ethanamine
SMILESNCCc1cncn1C1CCCCCCC1
InChIInChI=1S/C13H23N3/c14-9-8-13-10-15-11-16(13)12-6-4-2-1-3-5-7-12/h10-12H,1-9,14H2
InChIKeyLAANTWUMYKXNTG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.67
Rot. Bonds3

About 2-(3-cyclooctylimidazol-4-yl)ethanamine

2-(3-cyclooctylimidazol-4-yl)ethanamine (PubChem CID 114716513) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(3-cyclooctylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclooctylimidazol-4-yl)ethanamine
PubChem CID114716513
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(3-cyclooctylimidazol-4-yl)ethanamine
SMILESNCCc1cncn1C1CCCCCCC1
InChIInChI=1S/C13H23N3/c14-9-8-13-10-15-11-16(13)12-6-4-2-1-3-5-7-12/h10-12H,1-9,14H2
InChIKeyLAANTWUMYKXNTG-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclooctylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(3-cyclooctylimidazol-4-yl)ethanamine (CID 114716513) is 2-(3-cyclooctylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclooctylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-cyclooctylimidazol-4-yl)ethanamine is NCCc1cncn1C1CCCCCCC1.
What is the InChIKey of 2-(3-cyclooctylimidazol-4-yl)ethanamine?
The InChIKey is LAANTWUMYKXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-9-8-13-10-15-11-16(13)12-6-4-2-1-3-5-7-12/h10-12H,1-9,14H2.
What are the key properties of 2-(3-cyclooctylimidazol-4-yl)ethanamine?
2-(3-cyclooctylimidazol-4-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclooctylimidazol-4-yl)ethanamine is sourced from PubChem (CID 114716513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).