2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine

C13H20N4 — CID 54968403

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine
SMILESNc1ccc(NC2CCN3CCCCC23)nc1
InChIInChI=1S/C13H20N4/c14-10-4-5-13(15-9-10)16-11-6-8-17-7-2-1-3-12(11)17/h4-5,9,11-12H,1-3,6-8,14H2,(H,15,16)
InChIKeyUQKBJXSDSBTMQS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.70
Rot. Bonds2

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine (PubChem CID 54968403) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine
PubChem CID54968403
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine
SMILESNc1ccc(NC2CCN3CCCCC23)nc1
InChIInChI=1S/C13H20N4/c14-10-4-5-13(15-9-10)16-11-6-8-17-7-2-1-3-12(11)17/h4-5,9,11-12H,1-3,6-8,14H2,(H,15,16)
InChIKeyUQKBJXSDSBTMQS-UHFFFAOYSA-N
XLogP1.70
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine (CID 54968403) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine is Nc1ccc(NC2CCN3CCCCC23)nc1.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine?
The InChIKey is UQKBJXSDSBTMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-10-4-5-13(15-9-10)16-11-6-8-17-7-2-1-3-12(11)17/h4-5,9,11-12H,1-3,6-8,14H2,(H,15,16).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine is sourced from PubChem (CID 54968403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).