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

C17H25N3 — CID 81197078

IUPAC6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CN2CCCC2CN1c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H25N3/c1-13-11-19-9-3-5-16(19)12-20(13)15-6-7-17-14(10-15)4-2-8-18-17/h6-7,10,13,16,18H,2-5,8-9,11-12H2,1H3
InChIKeyRMYKBVDBIUCOKD-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.72
Rot. Bonds1

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

6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81197078) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81197078
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CN2CCCC2CN1c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H25N3/c1-13-11-19-9-3-5-16(19)12-20(13)15-6-7-17-14(10-15)4-2-8-18-17/h6-7,10,13,16,18H,2-5,8-9,11-12H2,1H3
InChIKeyRMYKBVDBIUCOKD-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79930298
2,5-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81214490
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214611
3-hydroxy-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dihydroindol-2-one
CID 79929641
[2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanol
CID 79943471
2-[3-chloro-4-(chloromethyl)phenyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114064463
6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
CID 97030516
2-bromo-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzaldehyde
CID 114060069
3-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931085
2-(4-chloro-3-fluorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926232
1-[2-hydroxy-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79922071

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline (CID 81197078) is 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline is CC1CN2CCCC2CN1c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is RMYKBVDBIUCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-11-19-9-3-5-16(19)12-20(13)15-6-7-17-14(10-15)4-2-8-18-17/h6-7,10,13,16,18H,2-5,8-9,11-12H2,1H3.
What are the key properties of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 271.41 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81197078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).