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

C13H25N3 — CID 81460124

IUPAC3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CNCC1N1CC2CCCN2CC1C
InChIInChI=1S/C13H25N3/c1-10-6-14-7-13(10)16-9-12-4-3-5-15(12)8-11(16)2/h10-14H,3-9H2,1-2H3
InChIKeyLUHYPOURMXPUOC-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.76
Rot. Bonds1

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

3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 81460124) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID81460124
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CNCC1N1CC2CCCN2CC1C
InChIInChI=1S/C13H25N3/c1-10-6-14-7-13(10)16-9-12-4-3-5-15(12)8-11(16)2/h10-14H,3-9H2,1-2H3
InChIKeyLUHYPOURMXPUOC-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79938282
3-methyl-1-(4-methylpyrrolidin-3-yl)piperidine
CID 81460806
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
2,5-dimethyl-1-(4-methylpyrrolidin-3-yl)piperidine
CID 81459496
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclobutan-1-amine
CID 80561807
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79931664
1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
CID 87765664
1-(4-methylpyrrolidin-3-yl)azepane
CID 81458651
N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958
N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79937858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 81460124) is 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC1CNCC1N1CC2CCCN2CC1C.
What is the InChIKey of 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is LUHYPOURMXPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10-6-14-7-13(10)16-9-12-4-3-5-15(12)8-11(16)2/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 223.36 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 81460124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).