2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine

C12H18N4O — CID 82143969

IUPAC2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
SMILESCc1cnc2c(c1)nc(C)n2CCOCCN
InChIInChI=1S/C12H18N4O/c1-9-7-11-12(14-8-9)16(10(2)15-11)4-6-17-5-3-13/h7-8H,3-6,13H2,1-2H3
InChIKeyADTRUBNCQBFQEY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine

2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine (PubChem CID 82143969) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
PubChem CID82143969
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
SMILESCc1cnc2c(c1)nc(C)n2CCOCCN
InChIInChI=1S/C12H18N4O/c1-9-7-11-12(14-8-9)16(10(2)15-11)4-6-17-5-3-13/h7-8H,3-6,13H2,1-2H3
InChIKeyADTRUBNCQBFQEY-UHFFFAOYSA-N
XLogP1.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143979
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143988
2-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061615
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
ethyl 3-(2-acetyloxyethyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 10085656
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061574
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127
3-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-1-piperazin-1-ylpropan-1-one
CID 82151411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine (CID 82143969) is 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine is Cc1cnc2c(c1)nc(C)n2CCOCCN.
What is the InChIKey of 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The InChIKey is ADTRUBNCQBFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-7-11-12(14-8-9)16(10(2)15-11)4-6-17-5-3-13/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine is sourced from PubChem (CID 82143969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).