N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C13H20N4 — CID 55110319

IUPACN-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESc1cnc(CNC2CCN3CCCCC23)cn1
InChIInChI=1S/C13H20N4/c1-2-7-17-8-4-12(13(17)3-1)16-10-11-9-14-5-6-15-11/h5-6,9,12-13,16H,1-4,7-8,10H2
InChIKeyCAFHNRXEQZROPE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.19
Rot. Bonds3

About N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 55110319) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID55110319
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESc1cnc(CNC2CCN3CCCCC23)cn1
InChIInChI=1S/C13H20N4/c1-2-7-17-8-4-12(13(17)3-1)16-10-11-9-14-5-6-15-11/h5-6,9,12-13,16H,1-4,7-8,10H2
InChIKeyCAFHNRXEQZROPE-UHFFFAOYSA-N
XLogP1.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 55110319) is N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is c1cnc(CNC2CCN3CCCCC23)cn1.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is CAFHNRXEQZROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-7-17-8-4-12(13(17)3-1)16-10-11-9-14-5-6-15-11/h5-6,9,12-13,16H,1-4,7-8,10H2.
What are the key properties of N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 232.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 55110319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).