1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine

C17H29N3S — CID 79919730

IUPAC1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CC2CCCCN2CC1C
InChIInChI=1S/C17H29N3S/c1-3-16(18)17(14-7-9-21-12-14)20-11-15-6-4-5-8-19(15)10-13(20)2/h7,9,12-13,15-17H,3-6,8,10-11,18H2,1-2H3
InChIKeyYUZPWMPXXQXEEP-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.09
Rot. Bonds4

About 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine

1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine (PubChem CID 79919730) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine
PubChem CID79919730
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CC2CCCCN2CC1C
InChIInChI=1S/C17H29N3S/c1-3-16(18)17(14-7-9-21-12-14)20-11-15-6-4-5-8-19(15)10-13(20)2/h7,9,12-13,15-17H,3-6,8,10-11,18H2,1-2H3
InChIKeyYUZPWMPXXQXEEP-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine with MolForge

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Related Compounds

[1-(2-amino-1-thiophen-3-ylbutyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777782
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
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 104840488
1-(4-chlorophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79928366
1-(4-bromophenyl)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79926191
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
CID 79919963
3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926568
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972
3-methyl-2-(1-thiophen-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939451
1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine
CID 62204273

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine (CID 79919730) is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(c1ccsc1)N1CC2CCCCN2CC1C.
What is the InChIKey of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is YUZPWMPXXQXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-3-16(18)17(14-7-9-21-12-14)20-11-15-6-4-5-8-19(15)10-13(20)2/h7,9,12-13,15-17H,3-6,8,10-11,18H2,1-2H3.
What are the key properties of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine?
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 79919730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).