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

C14H22N4 — CID 81073284

IUPAC2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2cccnc2n1C(C)C
InChIInChI=1S/C14H22N4/c1-4-11(9-15)8-13-17-12-6-5-7-16-14(12)18(13)10(2)3/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeySQLWXHMLGPMPMG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.54
Rot. Bonds5

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

2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine (PubChem CID 81073284) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
PubChem CID81073284
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2cccnc2n1C(C)C
InChIInChI=1S/C14H22N4/c1-4-11(9-15)8-13-17-12-6-5-7-16-14(12)18(13)10(2)3/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeySQLWXHMLGPMPMG-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine (CID 81073284) is 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine is CCC(CN)Cc1nc2cccnc2n1C(C)C.
What is the InChIKey of 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine?
The InChIKey is SQLWXHMLGPMPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-11(9-15)8-13-17-12-6-5-7-16-14(12)18(13)10(2)3/h5-7,10-11H,4,8-9,15H2,1-3H3.
What are the key properties of 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine?
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 81073284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).