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

C17H32N2 — CID 66210328

IUPAC4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1CC(N2CC3CNCC3C2(C)C)CC(C)(C)C1
InChIInChI=1S/C17H32N2/c1-12-6-14(8-16(2,3)7-12)19-11-13-9-18-10-15(13)17(19,4)5/h12-15,18H,6-11H2,1-5H3
InChIKeyUGRQMMARVWFIPE-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.13
Rot. Bonds1

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

4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66210328) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66210328
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1CC(N2CC3CNCC3C2(C)C)CC(C)(C)C1
InChIInChI=1S/C17H32N2/c1-12-6-14(8-16(2,3)7-12)19-11-13-9-18-10-15(13)17(19,4)5/h12-15,18H,6-11H2,1-5H3
InChIKeyUGRQMMARVWFIPE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66210328) is 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1CC(N2CC3CNCC3C2(C)C)CC(C)(C)C1.
What is the InChIKey of 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UGRQMMARVWFIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-12-6-14(8-16(2,3)7-12)19-11-13-9-18-10-15(13)17(19,4)5/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 264.46 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3,3,5-trimethylcyclohexyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).