2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C16H28N2 — CID 157020672

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1CCN2CC(C3CCCC4CCCN43)CC2C1
InChIInChI=1S/C16H28N2/c1-2-9-17-12-13(11-15(17)5-1)16-8-3-6-14-7-4-10-18(14)16/h13-16H,1-12H2
InChIKeyBVISHQXLPDUDRF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.88
Rot. Bonds1

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 157020672) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID157020672
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC1CCN2CC(C3CCCC4CCCN43)CC2C1
InChIInChI=1S/C16H28N2/c1-2-9-17-12-13(11-15(17)5-1)16-8-3-6-14-7-4-10-18(14)16/h13-16H,1-12H2
InChIKeyBVISHQXLPDUDRF-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 157020672) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is C1CCN2CC(C3CCCC4CCCN43)CC2C1.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is BVISHQXLPDUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-9-17-12-13(11-15(17)5-1)16-8-3-6-14-7-4-10-18(14)16/h13-16H,1-12H2.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 248.41 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 157020672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).