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

C12H18N4O — CID 112739245

IUPAC2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine
SMILESCCn1c(CCOCCN)nc2cccnc21
InChIInChI=1S/C12H18N4O/c1-2-16-11(5-8-17-9-6-13)15-10-4-3-7-14-12(10)16/h3-4,7H,2,5-6,8-9,13H2,1H3
InChIKeyXGUPXFZEOPDDFL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds6

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

2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine (PubChem CID 112739245) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine
PubChem CID112739245
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine
SMILESCCn1c(CCOCCN)nc2cccnc21
InChIInChI=1S/C12H18N4O/c1-2-16-11(5-8-17-9-6-13)15-10-4-3-7-14-12(10)16/h3-4,7H,2,5-6,8-9,13H2,1H3
InChIKeyXGUPXFZEOPDDFL-UHFFFAOYSA-N
XLogP0.97
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
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-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153994
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 81073667
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1-phenylpropan-1-amine
CID 63757298
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63758859
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-ethyl-2-methylimidazo[4,5-b]pyridine
CID 23298284
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 63757473
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine (CID 112739245) is 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine is CCn1c(CCOCCN)nc2cccnc21.
What is the InChIKey of 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine?
The InChIKey is XGUPXFZEOPDDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-16-11(5-8-17-9-6-13)15-10-4-3-7-14-12(10)16/h3-4,7H,2,5-6,8-9,13H2,1H3.
What are the key properties of 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine?
2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine is sourced from PubChem (CID 112739245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).