5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H26N2 — CID 121185374

IUPAC5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(CCC(C)(C)C)CC2C1
InChIInChI=1S/C13H26N2/c1-13(2,3)5-6-15-9-11-7-14(4)8-12(11)10-15/h11-12H,5-10H2,1-4H3
InChIKeyPAHKCAOLUHODAT-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.92
Rot. Bonds2

About 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185374) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185374
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(CCC(C)(C)C)CC2C1
InChIInChI=1S/C13H26N2/c1-13(2,3)5-6-15-9-11-7-14(4)8-12(11)10-15/h11-12H,5-10H2,1-4H3
InChIKeyPAHKCAOLUHODAT-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185374) is 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(CCC(C)(C)C)CC2C1.
What is the InChIKey of 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is PAHKCAOLUHODAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)5-6-15-9-11-7-14(4)8-12(11)10-15/h11-12H,5-10H2,1-4H3.
What are the key properties of 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 210.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).