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

C13H21N3O — CID 79945485

IUPAC[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1CN1CCN2CCCC2C1
InChIInChI=1S/C13H21N3O/c14-8-11-3-7-17-13(11)10-15-5-6-16-4-1-2-12(16)9-15/h3,7,12H,1-2,4-6,8-10,14H2
InChIKeyREGSYGLPHRVCPZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.02
Rot. Bonds3

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

[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine (PubChem CID 79945485) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
PubChem CID79945485
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine
SMILESNCc1ccoc1CN1CCN2CCCC2C1
InChIInChI=1S/C13H21N3O/c14-8-11-3-7-17-13(11)10-15-5-6-16-4-1-2-12(16)9-15/h3,7,12H,1-2,4-6,8-10,14H2
InChIKeyREGSYGLPHRVCPZ-UHFFFAOYSA-N
XLogP1.02
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine
CID 79915678
[2-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 102968055
[2-[(3-methoxypyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 103539631
[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
[3-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 55158772
[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62413261
[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
CID 65286568
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438898
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methylaniline
CID 79941262
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)pyridin-2-amine
CID 79945516
1-(furan-3-ylmethyl)-3-pyrrolidin-1-ylpiperidine
CID 45250487

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine?
The IUPAC name of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine (CID 79945485) is [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine?
The canonical SMILES for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine is NCc1ccoc1CN1CCN2CCCC2C1.
What is the InChIKey of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine?
The InChIKey is REGSYGLPHRVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-8-11-3-7-17-13(11)10-15-5-6-16-4-1-2-12(16)9-15/h3,7,12H,1-2,4-6,8-10,14H2.
What are the key properties of [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine?
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methanamine is sourced from PubChem (CID 79945485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).