2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C18H33N3 — CID 79916068

IUPAC2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1CCC1CC2CCC(C1)N2
InChIInChI=1S/C18H33N3/c1-14-12-21-8-3-2-4-18(21)13-20(14)9-7-15-10-16-5-6-17(11-15)19-16/h14-19H,2-13H2,1H3
InChIKeyLIHZYWDKMXKXFL-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.47
Rot. Bonds3

About 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79916068) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79916068
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CN2CCCCC2CN1CCC1CC2CCC(C1)N2
InChIInChI=1S/C18H33N3/c1-14-12-21-8-3-2-4-18(21)13-20(14)9-7-15-10-16-5-6-17(11-15)19-16/h14-19H,2-13H2,1H3
InChIKeyLIHZYWDKMXKXFL-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79611622
3-methyl-2-(2-piperidin-2-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938047
3-methyl-2-(3-piperidin-3-ylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934877
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine
CID 79920833
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-en-1-amine
CID 79935553
N-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexyl]cyclopropanamine
CID 79918072
2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926023
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 79615695
2-but-2-ynyl-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115647776

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79916068) is 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CN2CCCCC2CN1CCC1CC2CCC(C1)N2.
What is the InChIKey of 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is LIHZYWDKMXKXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14-12-21-8-3-2-4-18(21)13-20(14)9-7-15-10-16-5-6-17(11-15)19-16/h14-19H,2-13H2,1H3.
What are the key properties of 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 291.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79916068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).