2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine

C14H22N4 — CID 80635052

IUPAC2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(N2CCN3CCCC3C2)nc1
InChIInChI=1S/C14H22N4/c15-6-5-12-3-4-14(16-10-12)18-9-8-17-7-1-2-13(17)11-18/h3-4,10,13H,1-2,5-9,11,15H2
InChIKeyRXGSGIAEMHIYOY-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.87
Rot. Bonds3

About 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine

2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine (PubChem CID 80635052) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
PubChem CID80635052
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
SMILESNCCc1ccc(N2CCN3CCCC3C2)nc1
InChIInChI=1S/C14H22N4/c15-6-5-12-3-4-14(16-10-12)18-9-8-17-7-1-2-13(17)11-18/h3-4,10,13H,1-2,5-9,11,15H2
InChIKeyRXGSGIAEMHIYOY-UHFFFAOYSA-N
XLogP0.87
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine with MolForge

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Related Compounds

2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80634216
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methanamine
CID 79940812
2-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80634545
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
CID 80634567
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634396
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
2-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102968762
2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80632973
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
2-[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 80633426

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine (CID 80635052) is 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine is NCCc1ccc(N2CCN3CCCC3C2)nc1.
What is the InChIKey of 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine?
The InChIKey is RXGSGIAEMHIYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-6-5-12-3-4-14(16-10-12)18-9-8-17-7-1-2-13(17)11-18/h3-4,10,13H,1-2,5-9,11,15H2.
What are the key properties of 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine?
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80635052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).