1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine

C17H29N3O — CID 79916470

IUPAC1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)o1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H29N3O/c1-3-15(18)17(16-8-7-13(2)21-16)20-11-10-19-9-5-4-6-14(19)12-20/h7-8,14-15,17H,3-6,9-12,18H2,1-2H3
InChIKeyROVKPQLVCWZRGI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.54
Rot. Bonds4

About 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine (PubChem CID 79916470) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
PubChem CID79916470
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)o1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H29N3O/c1-3-15(18)17(16-8-7-13(2)21-16)20-11-10-19-9-5-4-6-14(19)12-20/h7-8,14-15,17H,3-6,9-12,18H2,1-2H3
InChIKeyROVKPQLVCWZRGI-UHFFFAOYSA-N
XLogP2.54
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine with MolForge

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Related Compounds

1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171849
2-[2-amino-1-(5-methylfuran-2-yl)butyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855504
1-(4-cyclopentylpiperazin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 62367910
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
2-(5-methylfuran-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 55160318
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 113459495
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-2-amine
CID 79916945
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(furan-2-yl)propan-2-amine
CID 79931767
1-(5-methylfuran-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-amine
CID 102742955
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-2-amine
CID 79919024

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine?
The IUPAC name of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine (CID 79916470) is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine.
What is the SMILES notation for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine?
The canonical SMILES for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine is CCC(N)C(c1ccc(C)o1)N1CCN2CCCCC2C1.
What is the InChIKey of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine?
The InChIKey is ROVKPQLVCWZRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-15(18)17(16-8-7-13(2)21-16)20-11-10-19-9-5-4-6-14(19)12-20/h7-8,14-15,17H,3-6,9-12,18H2,1-2H3.
What are the key properties of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine?
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine is sourced from PubChem (CID 79916470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).