3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine

C13H21N3 — CID 169288512

IUPAC3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCC(C)C1=NC2C(C=C1)N=CN2C(C)(C)C
InChIInChI=1S/C13H21N3/c1-9(2)10-6-7-11-12(15-10)16(8-14-11)13(3,4)5/h6-9,11-12H,1-5H3
InChIKeyATEXBKJDSLPTFY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.49
Rot. Bonds1

About 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine

3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine (PubChem CID 169288512) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine
PubChem CID169288512
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCC(C)C1=NC2C(C=C1)N=CN2C(C)(C)C
InChIInChI=1S/C13H21N3/c1-9(2)10-6-7-11-12(15-10)16(8-14-11)13(3,4)5/h6-9,11-12H,1-5H3
InChIKeyATEXBKJDSLPTFY-UHFFFAOYSA-N
XLogP2.49
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine (CID 169288512) is 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine is CC(C)C1=NC2C(C=C1)N=CN2C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The InChIKey is ATEXBKJDSLPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)10-6-7-11-12(15-10)16(8-14-11)13(3,4)5/h6-9,11-12H,1-5H3.
What are the key properties of 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine?
3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 169288512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).