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

C16H30N2 — CID 79929792

IUPAC2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CCCC(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C16H30N2/c1-2-14-6-5-8-15(12-14)18-11-10-17-9-4-3-7-16(17)13-18/h14-16H,2-13H2,1H3
InChIKeyIJSQLZFDYARMND-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.13
Rot. Bonds2

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

2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79929792) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79929792
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CCCC(N2CCN3CCCCC3C2)C1
InChIInChI=1S/C16H30N2/c1-2-14-6-5-8-15(12-14)18-11-10-17-9-4-3-7-16(17)13-18/h14-16H,2-13H2,1H3
InChIKeyIJSQLZFDYARMND-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
N-cyclopropyl-1-(3-ethylcyclohexyl)pyrrolidin-3-amine
CID 64748391
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79914133
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
CID 144886153
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
[1-(3-ethylcyclopentyl)piperidin-3-yl]methanamine
CID 64513588
2-[(4-ethylcyclohexyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930234
3-cyclohexyl-1-(3-ethylcyclohexyl)piperazine
CID 64953854
1-(3-ethylcyclohexyl)-3-propyl-1,4-diazepane
CID 64949456
1-(3-ethylcyclopentyl)piperidin-3-amine
CID 64513357

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79929792) is 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CCCC(N2CCN3CCCCC3C2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is IJSQLZFDYARMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-14-6-5-8-15(12-14)18-11-10-17-9-4-3-7-16(17)13-18/h14-16H,2-13H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(3-ethylcyclohexyl)-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, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79929792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).