2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H26N2 — CID 58912905

IUPAC2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)CN1CC2CN(C(C)C)CC2C1
InChIInChI=1S/C13H26N2/c1-10(2)5-14-6-12-8-15(11(3)4)9-13(12)7-14/h10-13H,5-9H2,1-4H3
InChIKeySJVNCTNRLSHXPM-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 58912905) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID58912905
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)CN1CC2CN(C(C)C)CC2C1
InChIInChI=1S/C13H26N2/c1-10(2)5-14-6-12-8-15(11(3)4)9-13(12)7-14/h10-13H,5-9H2,1-4H3
InChIKeySJVNCTNRLSHXPM-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 58912905) is 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)CN1CC2CN(C(C)C)CC2C1.
What is the InChIKey of 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is SJVNCTNRLSHXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)5-14-6-12-8-15(11(3)4)9-13(12)7-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 210.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 58912905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).