1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine

C15H23N3 — CID 66410879

IUPAC1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CC(C)C)c2ncccc12
InChIInChI=1S/C15H23N3/c1-4-13(16)8-12-10-18(9-11(2)3)15-14(12)6-5-7-17-15/h5-7,10-11,13H,4,8-9,16H2,1-3H3
InChIKeyLIYSOWGPMCNJSB-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.97
Rot. Bonds5

About 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine

1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine (PubChem CID 66410879) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
PubChem CID66410879
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CC(C)C)c2ncccc12
InChIInChI=1S/C15H23N3/c1-4-13(16)8-12-10-18(9-11(2)3)15-14(12)6-5-7-17-15/h5-7,10-11,13H,4,8-9,16H2,1-3H3
InChIKeyLIYSOWGPMCNJSB-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine (CID 66410879) is 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine is CCC(N)Cc1cn(CC(C)C)c2ncccc12.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
The InChIKey is LIYSOWGPMCNJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-13(16)8-12-10-18(9-11(2)3)15-14(12)6-5-7-17-15/h5-7,10-11,13H,4,8-9,16H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine is sourced from PubChem (CID 66410879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).