1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine

C12H20N2 — CID 167604947

IUPAC1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1NC(C(C)(C)C)C2C=CC=CN12
InChIInChI=1S/C12H20N2/c1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10/h5-11,13H,1-4H3
InChIKeyPSJDWICDKKHXCX-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.10
Rot. Bonds

About 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine

1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 167604947) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine
PubChem CID167604947
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1NC(C(C)(C)C)C2C=CC=CN12
InChIInChI=1S/C12H20N2/c1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10/h5-11,13H,1-4H3
InChIKeyPSJDWICDKKHXCX-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine (CID 167604947) is 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine is CC1NC(C(C)(C)C)C2C=CC=CN12.
What is the InChIKey of 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is PSJDWICDKKHXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10/h5-11,13H,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine?
1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 192.31 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-1,2,3,8a-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 167604947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).