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

C15H24N4 — CID 79945337

IUPACN-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C15H24N4/c1-2-16-11-13-5-3-7-15(17-13)19-10-9-18-8-4-6-14(18)12-19/h3,5,7,14,16H,2,4,6,8-12H2,1H3
InChIKeyDZECPXYCXTWVGR-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.48
Rot. Bonds4

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

N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 79945337) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID79945337
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C15H24N4/c1-2-16-11-13-5-3-7-15(17-13)19-10-9-18-8-4-6-14(18)12-19/h3,5,7,14,16H,2,4,6,8-12H2,1H3
InChIKeyDZECPXYCXTWVGR-UHFFFAOYSA-N
XLogP1.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine (CID 79945337) is N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(N2CCN3CCCC3C2)n1.
What is the InChIKey of N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DZECPXYCXTWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-16-11-13-5-3-7-15(17-13)19-10-9-18-8-4-6-14(18)12-19/h3,5,7,14,16H,2,4,6,8-12H2,1H3.
What are the key properties of N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79945337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).