2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine

C13H17N3O — CID 82055862

IUPAC2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESC=C(C)COc1cccn2cc(CCN)nc12
InChIInChI=1S/C13H17N3O/c1-10(2)9-17-12-4-3-7-16-8-11(5-6-14)15-13(12)16/h3-4,7-8H,1,5-6,9,14H2,2H3
InChIKeyBFLYOXYFMYTHAJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds5

About 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine

2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine (PubChem CID 82055862) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine
PubChem CID82055862
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESC=C(C)COc1cccn2cc(CCN)nc12
InChIInChI=1S/C13H17N3O/c1-10(2)9-17-12-4-3-7-16-8-11(5-6-14)15-13(12)16/h3-4,7-8H,1,5-6,9,14H2,2H3
InChIKeyBFLYOXYFMYTHAJ-UHFFFAOYSA-N
XLogP1.79
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine (CID 82055862) is 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine is C=C(C)COc1cccn2cc(CCN)nc12.
What is the InChIKey of 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The InChIKey is BFLYOXYFMYTHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)9-17-12-4-3-7-16-8-11(5-6-14)15-13(12)16/h3-4,7-8H,1,5-6,9,14H2,2H3.
What are the key properties of 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine?
2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 82055862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).