3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine

C12H18N4O — CID 79289761

IUPAC3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCCCOCCn1c(N)nc2cccnc21
InChIInChI=1S/C12H18N4O/c1-2-3-8-17-9-7-16-11-10(15-12(16)13)5-4-6-14-11/h4-6H,2-3,7-9H2,1H3,(H2,13,15)
InChIKeyANVVHTMDOIBJNY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds6

About 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine

3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79289761) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79289761
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCCCOCCn1c(N)nc2cccnc21
InChIInChI=1S/C12H18N4O/c1-2-3-8-17-9-7-16-11-10(15-12(16)13)5-4-6-14-11/h4-6H,2-3,7-9H2,1H3,(H2,13,15)
InChIKeyANVVHTMDOIBJNY-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500
3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289514
3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289839
3-[2-(3-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79290080
3-benzylimidazo[4,5-b]pyridin-2-amine
CID 79289249
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289426
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
2-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethoxy]ethanamine
CID 112739245
3-pentan-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79290142

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine (CID 79289761) is 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine is CCCCOCCn1c(N)nc2cccnc21.
What is the InChIKey of 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is ANVVHTMDOIBJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-3-8-17-9-7-16-11-10(15-12(16)13)5-4-6-14-11/h4-6H,2-3,7-9H2,1H3,(H2,13,15).
What are the key properties of 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine?
3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79289761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).