3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine

C14H17N3S — CID 137452107

IUPAC3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNCCC(c1cccs1)N1CCc2ncccc21
InChIInChI=1S/C14H17N3S/c15-7-5-13(14-4-2-10-18-14)17-9-6-11-12(17)3-1-8-16-11/h1-4,8,10,13H,5-7,9,15H2
InChIKeyFQLWTUKPKIDQOX-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.60
Rot. Bonds4

About 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine

3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 137452107) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID137452107
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine
SMILESNCCC(c1cccs1)N1CCc2ncccc21
InChIInChI=1S/C14H17N3S/c15-7-5-13(14-4-2-10-18-14)17-9-6-11-12(17)3-1-8-16-11/h1-4,8,10,13H,5-7,9,15H2
InChIKeyFQLWTUKPKIDQOX-UHFFFAOYSA-N
XLogP2.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine (CID 137452107) is 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine is NCCC(c1cccs1)N1CCc2ncccc21.
What is the InChIKey of 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is FQLWTUKPKIDQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-7-5-13(14-4-2-10-18-14)17-9-6-11-12(17)3-1-8-16-11/h1-4,8,10,13H,5-7,9,15H2.
What are the key properties of 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine?
3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 137452107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).