2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

C14H28N2 — CID 166996500

IUPAC2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCC(C)C1CCC2CN(C(C)(C)C)CN2C1
InChIInChI=1S/C14H28N2/c1-11(2)12-6-7-13-9-16(14(3,4)5)10-15(13)8-12/h11-13H,6-10H2,1-5H3
InChIKeyZXKFLWNEMXXRML-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.79
Rot. Bonds1

About 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine

2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (PubChem CID 166996500) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
PubChem CID166996500
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCC(C)C1CCC2CN(C(C)(C)C)CN2C1
InChIInChI=1S/C14H28N2/c1-11(2)12-6-7-13-9-16(14(3,4)5)10-15(13)8-12/h11-13H,6-10H2,1-5H3
InChIKeyZXKFLWNEMXXRML-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (CID 166996500) is 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is CC(C)C1CCC2CN(C(C)(C)C)CN2C1.
What is the InChIKey of 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The InChIKey is ZXKFLWNEMXXRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)12-6-7-13-9-16(14(3,4)5)10-15(13)8-12/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine has a molecular weight of 224.39 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 166996500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).