5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

C22H42N4 — CID 134228091

IUPAC5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC(C)(C)N1CCC2CNC(C3CN(C(C)(C)C)CC4NCCC43)C2C1
InChIInChI=1S/C22H42N4/c1-21(2,3)25-10-8-15-11-24-20(17(15)12-25)18-13-26(22(4,5)6)14-19-16(18)7-9-23-19/h15-20,23-24H,7-14H2,1-6H3
InChIKeyKJPFGEKVEDCQDA-UHFFFAOYSA-N
MW362.61 g/mol
LogP2.40
Rot. Bonds1

About 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine

5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 134228091) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID134228091
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC(C)(C)N1CCC2CNC(C3CN(C(C)(C)C)CC4NCCC43)C2C1
InChIInChI=1S/C22H42N4/c1-21(2,3)25-10-8-15-11-24-20(17(15)12-25)18-13-26(22(4,5)6)14-19-16(18)7-9-23-19/h15-20,23-24H,7-14H2,1-6H3
InChIKeyKJPFGEKVEDCQDA-UHFFFAOYSA-N
XLogP2.40
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 134228091) is 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is CC(C)(C)N1CCC2CNC(C3CN(C(C)(C)C)CC4NCCC43)C2C1.
What is the InChIKey of 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is KJPFGEKVEDCQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-21(2,3)25-10-8-15-11-24-20(17(15)12-25)18-13-26(22(4,5)6)14-19-16(18)7-9-23-19/h15-20,23-24H,7-14H2,1-6H3.
What are the key properties of 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 362.61 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(6-tert-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 134228091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).