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

C16H26ClN3S — CID 79918784

IUPAC1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCN2CCCCC2C1
InChIInChI=1S/C16H26ClN3S/c1-2-13(18)16(14-6-7-15(17)21-14)20-10-9-19-8-4-3-5-12(19)11-20/h6-7,12-13,16H,2-5,8-11,18H2,1H3
InChIKeyZOHQHWIAHGESFW-UHFFFAOYSA-N
MW327.93 g/mol
LogP3.35
Rot. Bonds4

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

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine (PubChem CID 79918784) has the molecular formula C16H26ClN3S and a molecular weight of 327.93 g/mol. Its IUPAC name is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-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-chlorothiophen-2-yl)butan-2-amine
PubChem CID79918784
Molecular FormulaC16H26ClN3S
Molecular Weight327.93 g/mol
Exact Mass327.15
IUPAC Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCN2CCCCC2C1
InChIInChI=1S/C16H26ClN3S/c1-2-13(18)16(14-6-7-15(17)21-14)20-10-9-19-8-4-3-5-12(19)11-20/h6-7,12-13,16H,2-5,8-11,18H2,1H3
InChIKeyZOHQHWIAHGESFW-UHFFFAOYSA-N
XLogP3.35
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.93
LogP ≤ 53.35
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-chlorothiophen-2-yl)butan-2-amine with MolForge

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Related Compounds

1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 63150324
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
2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797123
1-(5-chlorothiophen-2-yl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79920196
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-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol
CID 81097160
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
3-amino-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 113459495
2-[1-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918302
2-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929608
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-2-amine
CID 79919024
1-(1-methylpyrazol-4-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 63171805

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-chlorothiophen-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-chlorothiophen-2-yl)butan-2-amine (CID 79918784) is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-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-chlorothiophen-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-chlorothiophen-2-yl)butan-2-amine is CCC(N)C(c1ccc(Cl)s1)N1CCN2CCCCC2C1.
What is the InChIKey of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine?
The InChIKey is ZOHQHWIAHGESFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3S/c1-2-13(18)16(14-6-7-15(17)21-14)20-10-9-19-8-4-3-5-12(19)11-20/h6-7,12-13,16H,2-5,8-11,18H2,1H3.
What are the key properties of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine?
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine has a molecular weight of 327.93 g/mol, XLogP of 3.35, 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-chlorothiophen-2-yl)butan-2-amine is sourced from PubChem (CID 79918784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).