2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine

C11H17N3 — CID 176860175

IUPAC2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine
SMILESCN1C(C(C)(C)C)=NC2C=NC=CC21
InChIInChI=1S/C11H17N3/c1-11(2,3)10-13-8-7-12-6-5-9(8)14(10)4/h5-9H,1-4H3
InChIKeyGRYMFVCRIQJKRF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.71
Rot. Bonds

About 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine

2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine (PubChem CID 176860175) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine
PubChem CID176860175
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine
SMILESCN1C(C(C)(C)C)=NC2C=NC=CC21
InChIInChI=1S/C11H17N3/c1-11(2,3)10-13-8-7-12-6-5-9(8)14(10)4/h5-9H,1-4H3
InChIKeyGRYMFVCRIQJKRF-UHFFFAOYSA-N
XLogP1.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine (CID 176860175) is 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine is CN1C(C(C)(C)C)=NC2C=NC=CC21.
What is the InChIKey of 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
The InChIKey is GRYMFVCRIQJKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-11(2,3)10-13-8-7-12-6-5-9(8)14(10)4/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine has a molecular weight of 191.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-3a,7a-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 176860175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).