2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C17H26N2 — CID 79931622

IUPAC2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2/c1-4-15-11-18-9-5-6-16(18)12-19(15)17-10-13(2)7-8-14(17)3/h7-8,10,15-16H,4-6,9,11-12H2,1-3H3
InChIKeyKXNKJRKEPVHVGA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.37
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79931622) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79931622
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CN2CCCC2CN1c1cc(C)ccc1C
InChIInChI=1S/C17H26N2/c1-4-15-11-18-9-5-6-16(18)12-19(15)17-10-13(2)7-8-14(17)3/h7-8,10,15-16H,4-6,9,11-12H2,1-3H3
InChIKeyKXNKJRKEPVHVGA-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79931622) is 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CN2CCCC2CN1c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is KXNKJRKEPVHVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-15-11-18-9-5-6-16(18)12-19(15)17-10-13(2)7-8-14(17)3/h7-8,10,15-16H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 258.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79931622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).