ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C17H29N3 — CID 165400025

IUPACethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC.CCc1cc(C)cc(N2CCC3CN(C)CC32)n1
InChIInChI=1S/C15H23N3.C2H6/c1-4-13-7-11(2)8-15(16-13)18-6-5-12-9-17(3)10-14(12)18;1-2/h7-8,12,14H,4-6,9-10H2,1-3H3;1-2H3
InChIKeyPSNAPEBERMZOTQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.12
Rot. Bonds2

About ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 165400025) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Nameethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID165400025
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Nameethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC.CCc1cc(C)cc(N2CCC3CN(C)CC32)n1
InChIInChI=1S/C15H23N3.C2H6/c1-4-13-7-11(2)8-15(16-13)18-6-5-12-9-17(3)10-14(12)18;1-2/h7-8,12,14H,4-6,9-10H2,1-3H3;1-2H3
InChIKeyPSNAPEBERMZOTQ-UHFFFAOYSA-N
XLogP3.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 165400025) is ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CC.CCc1cc(C)cc(N2CCC3CN(C)CC32)n1.
What is the InChIKey of ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is PSNAPEBERMZOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.C2H6/c1-4-13-7-11(2)8-15(16-13)18-6-5-12-9-17(3)10-14(12)18;1-2/h7-8,12,14H,4-6,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 275.44 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-ethyl-4-methyl-2-pyridinyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 165400025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).