3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine

C16H24N2 — CID 157096750

IUPAC3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2c(CC(C)(C)C)c(C)n(C)c2n1
InChIInChI=1S/C16H24N2/c1-10-8-11(2)17-15-14(10)13(9-16(4,5)6)12(3)18(15)7/h8H,9H2,1-7H3
InChIKeyQVRQYTUBRFPKMH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.09
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine

3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine (PubChem CID 157096750) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine
PubChem CID157096750
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2c(CC(C)(C)C)c(C)n(C)c2n1
InChIInChI=1S/C16H24N2/c1-10-8-11(2)17-15-14(10)13(9-16(4,5)6)12(3)18(15)7/h8H,9H2,1-7H3
InChIKeyQVRQYTUBRFPKMH-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine (CID 157096750) is 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine is Cc1cc(C)c2c(CC(C)(C)C)c(C)n(C)c2n1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine?
The InChIKey is QVRQYTUBRFPKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10-8-11(2)17-15-14(10)13(9-16(4,5)6)12(3)18(15)7/h8H,9H2,1-7H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine?
3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine has a molecular weight of 244.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157096750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).