3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine

C14H22N4 — CID 82061543

IUPAC3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
SMILESCCCCc1nc2cc(C)cnc2n1CCCN
InChIInChI=1S/C14H22N4/c1-3-4-6-13-17-12-9-11(2)10-16-14(12)18(13)8-5-7-15/h9-10H,3-8,15H2,1-2H3
InChIKeyWZRNNEPXBFDOPM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.43
Rot. Bonds6

About 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine

3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine (PubChem CID 82061543) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
PubChem CID82061543
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
SMILESCCCCc1nc2cc(C)cnc2n1CCCN
InChIInChI=1S/C14H22N4/c1-3-4-6-13-17-12-9-11(2)10-16-14(12)18(13)8-5-7-15/h9-10H,3-8,15H2,1-2H3
InChIKeyWZRNNEPXBFDOPM-UHFFFAOYSA-N
XLogP2.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
The IUPAC name of 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine (CID 82061543) is 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine is CCCCc1nc2cc(C)cnc2n1CCCN.
What is the InChIKey of 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
The InChIKey is WZRNNEPXBFDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-4-6-13-17-12-9-11(2)10-16-14(12)18(13)8-5-7-15/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 82061543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).