3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C18H33N3 — CID 79923995

IUPAC3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1C1CC2CCCC(C1)N2C
InChIInChI=1S/C18H33N3/c1-3-14-12-20-9-5-8-17(20)13-21(14)18-10-15-6-4-7-16(11-18)19(15)2/h14-18H,3-13H2,1-2H3
InChIKeyGDOKCGIDBNYTFA-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.56
Rot. Bonds2

About 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79923995) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79923995
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1C1CC2CCCC(C1)N2C
InChIInChI=1S/C18H33N3/c1-3-14-12-20-9-5-8-17(20)13-21(14)18-10-15-6-4-7-16(11-18)19(15)2/h14-18H,3-13H2,1-2H3
InChIKeyGDOKCGIDBNYTFA-UHFFFAOYSA-N
XLogP2.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

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3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
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3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
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2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923618
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
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2-(1-cyclopropylpropan-2-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
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N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79923995) is 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1C1CC2CCCC(C1)N2C.
What is the InChIKey of 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GDOKCGIDBNYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-3-14-12-20-9-5-8-17(20)13-21(14)18-10-15-6-4-7-16(11-18)19(15)2/h14-18H,3-13H2,1-2H3.
What are the key properties of 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 291.48 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79923995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).