5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H28N2 — CID 155451610

IUPAC5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C1CC1)N1CC2CN(C(C)(C)C)CC2C1
InChIInChI=1S/C15H28N2/c1-11(12-5-6-12)16-7-13-9-17(15(2,3)4)10-14(13)8-16/h11-14H,5-10H2,1-4H3
InChIKeyGXTBKSYPQKCPKI-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.45
Rot. Bonds2

About 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 155451610) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID155451610
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C1CC1)N1CC2CN(C(C)(C)C)CC2C1
InChIInChI=1S/C15H28N2/c1-11(12-5-6-12)16-7-13-9-17(15(2,3)4)10-14(13)8-16/h11-14H,5-10H2,1-4H3
InChIKeyGXTBKSYPQKCPKI-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 155451610) is 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C1CC1)N1CC2CN(C(C)(C)C)CC2C1.
What is the InChIKey of 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is GXTBKSYPQKCPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-11(12-5-6-12)16-7-13-9-17(15(2,3)4)10-14(13)8-16/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 236.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 155451610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).