1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

C16H24N4 — CID 66415655

IUPAC1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCC(C)N1CCC(CNCc2c[nH]c3ncccc23)C1
InChIInChI=1S/C16H24N4/c1-12(2)20-7-5-13(11-20)8-17-9-14-10-19-16-15(14)4-3-6-18-16/h3-4,6,10,12-13,17H,5,7-9,11H2,1-2H3,(H,18,19)
InChIKeyHKPHPZXKNYNPOB-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.38
Rot. Bonds5

About 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine

1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (PubChem CID 66415655) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
PubChem CID66415655
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
SMILESCC(C)N1CCC(CNCc2c[nH]c3ncccc23)C1
InChIInChI=1S/C16H24N4/c1-12(2)20-7-5-13(11-20)8-17-9-14-10-19-16-15(14)4-3-6-18-16/h3-4,6,10,12-13,17H,5,7-9,11H2,1-2H3,(H,18,19)
InChIKeyHKPHPZXKNYNPOB-UHFFFAOYSA-N
XLogP2.38
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine 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-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine (CID 66415655) is 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is CC(C)N1CCC(CNCc2c[nH]c3ncccc23)C1.
What is the InChIKey of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
The InChIKey is HKPHPZXKNYNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)20-7-5-13(11-20)8-17-9-14-10-19-16-15(14)4-3-6-18-16/h3-4,6,10,12-13,17H,5,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine?
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine has a molecular weight of 272.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 66415655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).