4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine

C14H22N4 — CID 82061622

IUPAC4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
SMILESCc1cnc2c(c1)nc(C(C)C)n2CCCCN
InChIInChI=1S/C14H22N4/c1-10(2)13-17-12-8-11(3)9-16-14(12)18(13)7-5-4-6-15/h8-10H,4-7,15H2,1-3H3
InChIKeyQOMOWNDVLZAELK-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.60
Rot. Bonds5

About 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine

4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine (PubChem CID 82061622) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
PubChem CID82061622
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
SMILESCc1cnc2c(c1)nc(C(C)C)n2CCCCN
InChIInChI=1S/C14H22N4/c1-10(2)13-17-12-8-11(3)9-16-14(12)18(13)7-5-4-6-15/h8-10H,4-7,15H2,1-3H3
InChIKeyQOMOWNDVLZAELK-UHFFFAOYSA-N
XLogP2.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061624
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 94758729
3-[6-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061574
2-methyl-4-[2-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 82152131
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butan-1-amine
CID 93209739
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93210060
3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209647
2-(1-chloroethyl)-6-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79280361

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
The IUPAC name of 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine (CID 82061622) is 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
The canonical SMILES for 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine is Cc1cnc2c(c1)nc(C(C)C)n2CCCCN.
What is the InChIKey of 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
The InChIKey is QOMOWNDVLZAELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)13-17-12-8-11(3)9-16-14(12)18(13)7-5-4-6-15/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine?
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 82061622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).