3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H26N2 — CID 79310129

IUPAC3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1Cc1ccccc1C
InChIInChI=1S/C17H26N2/c1-3-16-12-18-10-6-9-17(18)13-19(16)11-15-8-5-4-7-14(15)2/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3
InChIKeyBHIWXWCURDALTG-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.05
Rot. Bonds3

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

3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79310129) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79310129
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1Cc1ccccc1C
InChIInChI=1S/C17H26N2/c1-3-16-12-18-10-6-9-17(18)13-19(16)11-15-8-5-4-7-14(15)2/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3
InChIKeyBHIWXWCURDALTG-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluorophenyl)methyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939035
2-[(2,5-difluorophenyl)methyl]-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918517
3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79308881
2-methyl-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 112553685
2-(chloromethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 63387327
3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926305
(3S,9aR)-3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97161241
3-ethyl-2-[2-(furan-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940138
3-ethyl-2-(3-phenoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79309851
2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 80668518
3-ethyl-2-[2-(furan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926089
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79310129) is 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1Cc1ccccc1C.
What is the InChIKey of 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is BHIWXWCURDALTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-16-12-18-10-6-9-17(18)13-19(16)11-15-8-5-4-7-14(15)2/h4-5,7-8,16-17H,3,6,9-13H2,1-2H3.
What are the key properties of 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 258.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79310129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).