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

C16H30N2 — CID 79929028

IUPAC2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1(C)CCCCC1N1CCN2CCCCC2C1
InChIInChI=1S/C16H30N2/c1-16(2)9-5-3-8-15(16)18-12-11-17-10-6-4-7-14(17)13-18/h14-15H,3-13H2,1-2H3
InChIKeyIRIKRQVBZNGMRZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.13
Rot. Bonds1

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

2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79929028) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79929028
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1(C)CCCCC1N1CCN2CCCCC2C1
InChIInChI=1S/C16H30N2/c1-16(2)9-5-3-8-15(16)18-12-11-17-10-6-4-7-14(17)13-18/h14-15H,3-13H2,1-2H3
InChIKeyIRIKRQVBZNGMRZ-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(2,2-dimethylcyclopentyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944588
1-(2,2-dimethylcyclohexyl)piperidin-3-amine
CID 79847602
2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944940
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
1-(2,2-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 79853568
2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929015
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 79935392
2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944372
1-(2,2-dimethylcyclohexyl)-6-methyl-1,4-diazepane
CID 79879039
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
3-methyl-2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926405

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79929028) is 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1(C)CCCCC1N1CCN2CCCCC2C1.
What is the InChIKey of 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is IRIKRQVBZNGMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(2)9-5-3-8-15(16)18-12-11-17-10-6-4-7-14(17)13-18/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 250.43 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79929028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).