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

C19H36N2 — CID 79916422

IUPAC2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CCC(N2CC3CCCCN3CC2C(C)C)C1C
InChIInChI=1S/C19H36N2/c1-5-16-9-10-18(15(16)4)21-12-17-8-6-7-11-20(17)13-19(21)14(2)3/h14-19H,5-13H2,1-4H3
InChIKeyMSMQUZUSVFDROY-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.01
Rot. Bonds3

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

2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79916422) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79916422
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CCC(N2CC3CCCCN3CC2C(C)C)C1C
InChIInChI=1S/C19H36N2/c1-5-16-9-10-18(15(16)4)21-12-17-8-6-7-11-20(17)13-19(21)14(2)3/h14-19H,5-13H2,1-4H3
InChIKeyMSMQUZUSVFDROY-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyloxolan-3-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 82737587
2-(4-ethylcyclohexyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939155
2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926070
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940926
3-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944515
2-butyl-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926630
2-(cyclopentylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926542
2-(dicyclopropylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915707
3-(3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 79932128
2-pentan-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931014
2-(1-cyclopentylethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925947
5,5-diethyl-1-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpiperazine
CID 64940929

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79916422) is 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CCC(N2CC3CCCCN3CC2C(C)C)C1C.
What is the InChIKey of 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is MSMQUZUSVFDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-5-16-9-10-18(15(16)4)21-12-17-8-6-7-11-20(17)13-19(21)14(2)3/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 292.51 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79916422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).