3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine

C13H20N2 — CID 71220612

IUPAC3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCc1[nH]c2c(c1C(C)(C)C)=NCCC=2
InChIInChI=1S/C13H20N2/c1-5-9-11(13(2,3)4)12-10(15-9)7-6-8-14-12/h7,15H,5-6,8H2,1-4H3
InChIKeyWQFHBGBVCYMXPU-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.68
Rot. Bonds1

About 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine

3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 71220612) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID71220612
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCc1[nH]c2c(c1C(C)(C)C)=NCCC=2
InChIInChI=1S/C13H20N2/c1-5-9-11(13(2,3)4)12-10(15-9)7-6-8-14-12/h7,15H,5-6,8H2,1-4H3
InChIKeyWQFHBGBVCYMXPU-UHFFFAOYSA-N
XLogP1.68
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
1-(5,6-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-methylpropan-2-amine
CID 89333158
N-tert-butyl-5,5-dimethyl-3-methyliminocyclohexen-1-amine
CID 11131488
3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
CID 158742169

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 71220612) is 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine is CCc1[nH]c2c(c1C(C)(C)C)=NCCC=2.
What is the InChIKey of 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is WQFHBGBVCYMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-9-11(13(2,3)4)12-10(15-9)7-6-8-14-12/h7,15H,5-6,8H2,1-4H3.
What are the key properties of 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine?
3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 204.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 71220612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).