N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine

C16H26N4 — CID 79924667

IUPACN-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C16H26N4/c1-2-17-12-14-6-5-8-16(18-14)20-11-10-19-9-4-3-7-15(19)13-20/h5-6,8,15,17H,2-4,7,9-13H2,1H3
InChIKeyCTXFDBDRHFRHML-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.87
Rot. Bonds4

About N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine

N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 79924667) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID79924667
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCN3CCCCC3C2)n1
InChIInChI=1S/C16H26N4/c1-2-17-12-14-6-5-8-16(18-14)20-11-10-19-9-4-3-7-15(19)13-20/h5-6,8,15,17H,2-4,7,9-13H2,1H3
InChIKeyCTXFDBDRHFRHML-UHFFFAOYSA-N
XLogP1.87
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
CID 79945337
N-[[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 63169196
N-[[6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63620272
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 79925273
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-pyridinyl]methanol
CID 63150729
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide
CID 79935683
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 102967645
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 82752844
N-methyl-1-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methanamine
CID 79925045
N-[[6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906876
N-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62284708

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine (CID 79924667) is N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(N2CCN3CCCCC3C2)n1.
What is the InChIKey of N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is CTXFDBDRHFRHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-17-12-14-6-5-8-16(18-14)20-11-10-19-9-4-3-7-15(19)13-20/h5-6,8,15,17H,2-4,7,9-13H2,1H3.
What are the key properties of N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79924667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).