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

C13H22N2 — CID 79939266

IUPAC3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC#CC(C)(C)N1CC2CCCN2CC1C
InChIInChI=1S/C13H22N2/c1-5-13(3,4)15-10-12-7-6-8-14(12)9-11(15)2/h1,11-12H,6-10H2,2-4H3
InChIKeyOEANGDVSXPJUTC-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.57
Rot. Bonds1

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

3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79939266) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79939266
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC#CC(C)(C)N1CC2CCCN2CC1C
InChIInChI=1S/C13H22N2/c1-5-13(3,4)15-10-12-7-6-8-14(12)9-11(15)2/h1,11-12H,6-10H2,2-4H3
InChIKeyOEANGDVSXPJUTC-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346
2-(2-methylbut-3-yn-2-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939338
2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79930355
2,3-dimethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 89116377
1-azabicyclo[9.1.0]dodecane
CID 87228787
6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 116535380
2-(dicyclopropylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939998
2,2-dimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 78992341
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79941209
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
3-methyl-2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79939266) is 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C#CC(C)(C)N1CC2CCCN2CC1C.
What is the InChIKey of 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is OEANGDVSXPJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-13(3,4)15-10-12-7-6-8-14(12)9-11(15)2/h1,11-12H,6-10H2,2-4H3.
What are the key properties of 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 206.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79939266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).