5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C12H18N2 — CID 134479037

IUPAC5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1Cc2cc(C(C)(C)C)cnc2N1
InChIInChI=1S/C12H18N2/c1-8-5-9-6-10(12(2,3)4)7-13-11(9)14-8/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeySZGGZYSANGROOL-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.74
Rot. Bonds

About 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 134479037) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID134479037
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1Cc2cc(C(C)(C)C)cnc2N1
InChIInChI=1S/C12H18N2/c1-8-5-9-6-10(12(2,3)4)7-13-11(9)14-8/h6-8H,5H2,1-4H3,(H,13,14)
InChIKeySZGGZYSANGROOL-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
1H-Pyrrolo(2,3-b)pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
CID 170513
5-(7-Azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine
CID 10084227
5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-3-iodo-pyridin-2-ylamine
CID 44362217
5-(1-Methylpyrrolidin-2-yl)pyridin-2-amine
CID 3110789
[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-yl]-dimethyl-amine
CID 44299206
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
5H,6H,7H-cyclopenta(c)pyridin-3-amine
CID 13302395
4-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 12398738
1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 10011889
(5R)-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233405

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 134479037) is 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is CC1Cc2cc(C(C)(C)C)cnc2N1.
What is the InChIKey of 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SZGGZYSANGROOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-5-9-6-10(12(2,3)4)7-13-11(9)14-8/h6-8H,5H2,1-4H3,(H,13,14).
What are the key properties of 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 134479037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).