N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C17H23N3S — CID 81298392

IUPACN-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)c1cnc2ccsc2c1
InChIInChI=1S/C17H23N3S/c1-12(13-9-17-16(18-11-13)5-8-21-17)19-14-4-7-20-6-2-3-15(20)10-14/h5,8-9,11-12,14-15,19H,2-4,6-7,10H2,1H3
InChIKeyKUPBFNJGERYIFB-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.57
Rot. Bonds3

About N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 81298392) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID81298392
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)c1cnc2ccsc2c1
InChIInChI=1S/C17H23N3S/c1-12(13-9-17-16(18-11-13)5-8-21-17)19-14-4-7-20-6-2-3-15(20)10-14/h5,8-9,11-12,14-15,19H,2-4,6-7,10H2,1H3
InChIKeyKUPBFNJGERYIFB-UHFFFAOYSA-N
XLogP3.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 81298392) is N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CC(NC1CCN2CCCC2C1)c1cnc2ccsc2c1.
What is the InChIKey of N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is KUPBFNJGERYIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12(13-9-17-16(18-11-13)5-8-21-17)19-14-4-7-20-6-2-3-15(20)10-14/h5,8-9,11-12,14-15,19H,2-4,6-7,10H2,1H3.
What are the key properties of N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 301.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 81298392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).