2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine

C14H20N2 — CID 155403882

IUPAC2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
SMILESCC(C)n1c(C(C)(C)C)cc2cnccc21
InChIInChI=1S/C14H20N2/c1-10(2)16-12-6-7-15-9-11(12)8-13(16)14(3,4)5/h6-10H,1-5H3
InChIKeyRSELTMJVMWLKOW-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.91
Rot. Bonds1

About 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine

2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine (PubChem CID 155403882) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
PubChem CID155403882
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine
SMILESCC(C)n1c(C(C)(C)C)cc2cnccc21
InChIInChI=1S/C14H20N2/c1-10(2)16-12-6-7-15-9-11(12)8-13(16)14(3,4)5/h6-10H,1-5H3
InChIKeyRSELTMJVMWLKOW-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
CID 104829127
2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)butan-2-amine
CID 79798297
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
1-(2-methylbutan-2-yl)pyrrolo[3,2-c]pyridin-2-amine
CID 170312540
1,2-di(propan-2-yl)pyrazolo[4,5-c]pyridin-2-ium
CID 177116421
1-propan-2-yl-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 122697151
ethane;1-methylpyrrolo[3,2-c]pyridin-2-amine
CID 142426543
ethane;1-propan-2-yl-2-pyridin-3-ylindole
CID 161108582
1-methylpyrrolo[3,2-c]pyridine-2-carbaldehyde
CID 82415580
2,6-ditert-butyl-1-(difluoromethyl)indole
CID 139475103
1-propan-2-ylpyrazolo[5,4-c]pyridine
CID 122471541
2-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanol
CID 83858384

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine (CID 155403882) is 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine is CC(C)n1c(C(C)(C)C)cc2cnccc21.
What is the InChIKey of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
The InChIKey is RSELTMJVMWLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)16-12-6-7-15-9-11(12)8-13(16)14(3,4)5/h6-10H,1-5H3.
What are the key properties of 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine?
2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine has a molecular weight of 216.33 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propan-2-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 155403882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).