5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C15H23N3 — CID 107875138

IUPAC5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(C)(C)c1ccc(N2CC3CNCC3C2)nc1
InChIInChI=1S/C15H23N3/c1-15(2,3)13-4-5-14(17-8-13)18-9-11-6-16-7-12(11)10-18/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3
InChIKeyRCFOZHWXGJQEJS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.03
Rot. Bonds1

About 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 107875138) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID107875138
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC(C)(C)c1ccc(N2CC3CNCC3C2)nc1
InChIInChI=1S/C15H23N3/c1-15(2,3)13-4-5-14(17-8-13)18-9-11-6-16-7-12(11)10-18/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3
InChIKeyRCFOZHWXGJQEJS-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 107875188
6-(5-tert-butyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 107875505
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinoxaline
CID 114042518
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
N-(azetidin-3-yl)-5-tert-butylpyridin-2-amine
CID 107875130

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 107875138) is 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC(C)(C)c1ccc(N2CC3CNCC3C2)nc1.
What is the InChIKey of 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is RCFOZHWXGJQEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)13-4-5-14(17-8-13)18-9-11-6-16-7-12(11)10-18/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3.
What are the key properties of 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 245.37 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 107875138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).