2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C14H28N2 — CID 104830147

IUPAC2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(N1CCN2CCCCC2C1)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(14(2,3)4)16-10-9-15-8-6-5-7-13(15)11-16/h12-13H,5-11H2,1-4H3
InChIKeyJACOREXNWKUSJA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 104830147) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID104830147
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(N1CCN2CCCCC2C1)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(14(2,3)4)16-10-9-15-8-6-5-7-13(15)11-16/h12-13H,5-11H2,1-4H3
InChIKeyJACOREXNWKUSJA-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanethiol
CID 166817734
2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147460
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanenitrile
CID 79931948
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63171716
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanethioamide
CID 79932274
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2-methylbutan-1-amine
CID 79945283
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
CID 103895043

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 104830147) is 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC(N1CCN2CCCCC2C1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is JACOREXNWKUSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(14(2,3)4)16-10-9-15-8-6-5-7-13(15)11-16/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 224.39 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 104830147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).