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

C12H24N2 — CID 58474591

IUPAC5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(CC(C)(C)C)CC2C1
InChIInChI=1S/C12H24N2/c1-12(2,3)9-14-7-10-5-13(4)6-11(10)8-14/h10-11H,5-9H2,1-4H3
InChIKeyCXFSWRALUYTZAV-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.53
Rot. Bonds1

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

5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 58474591) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID58474591
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCN1CC2CN(CC(C)(C)C)CC2C1
InChIInChI=1S/C12H24N2/c1-12(2,3)9-14-7-10-5-13(4)6-11(10)8-14/h10-11H,5-9H2,1-4H3
InChIKeyCXFSWRALUYTZAV-UHFFFAOYSA-N
XLogP1.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 58474591) is 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CN1CC2CN(CC(C)(C)C)CC2C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is CXFSWRALUYTZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)9-14-7-10-5-13(4)6-11(10)8-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 196.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 58474591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).