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

C15H30N2 — CID 146660518

IUPAC2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCC(C)(C)C1CCC2CN(C(C)(C)C)CN2C1
InChIInChI=1S/C15H30N2/c1-14(2,3)12-7-8-13-10-17(15(4,5)6)11-16(13)9-12/h12-13H,7-11H2,1-6H3
InChIKeyNMCVHTXGJFAVDH-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.18
Rot. Bonds

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

2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (PubChem CID 146660518) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
PubChem CID146660518
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
SMILESCC(C)(C)C1CCC2CN(C(C)(C)C)CN2C1
InChIInChI=1S/C15H30N2/c1-14(2,3)12-7-8-13-10-17(15(4,5)6)11-16(13)9-12/h12-13H,7-11H2,1-6H3
InChIKeyNMCVHTXGJFAVDH-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The IUPAC name of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine (CID 146660518) is 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The canonical SMILES for 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is CC(C)(C)C1CCC2CN(C(C)(C)C)CN2C1.
What is the InChIKey of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
The InChIKey is NMCVHTXGJFAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)12-7-8-13-10-17(15(4,5)6)11-16(13)9-12/h12-13H,7-11H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine?
2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine has a molecular weight of 238.42 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 146660518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).