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

C14H23N3O — CID 79940895

IUPAC2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESCC1CN2CCCC2CN1C(CN)c1ccco1
InChIInChI=1S/C14H23N3O/c1-11-9-16-6-2-4-12(16)10-17(11)13(8-15)14-5-3-7-18-14/h3,5,7,11-13H,2,4,6,8-10,15H2,1H3
InChIKeyQTSDFMXOZBONLO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.45
Rot. Bonds3

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

2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine (PubChem CID 79940895) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
PubChem CID79940895
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
SMILESCC1CN2CCCC2CN1C(CN)c1ccco1
InChIInChI=1S/C14H23N3O/c1-11-9-16-6-2-4-12(16)10-17(11)13(8-15)14-5-3-7-18-14/h3,5,7,11-13H,2,4,6,8-10,15H2,1H3
InChIKeyQTSDFMXOZBONLO-UHFFFAOYSA-N
XLogP1.45
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
CID 79919963
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
2-(4-bromo-2-fluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79927936
2-(5-bromothiophen-2-yl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanamine
CID 79930781
2-(3-ethylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43584299
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 104711092
3-methyl-2-(1-phenylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938960
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylpropanimidamide
CID 79928343
3-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79925054
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
CID 83227946

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine (CID 79940895) is 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine is CC1CN2CCCC2CN1C(CN)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
The InChIKey is QTSDFMXOZBONLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-16-6-2-4-12(16)10-17(11)13(8-15)14-5-3-7-18-14/h3,5,7,11-13H,2,4,6,8-10,15H2,1H3.
What are the key properties of 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine?
2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine is sourced from PubChem (CID 79940895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).