2,3-ditert-butyl-4H-quinolizine

C17H25N — CID 155649439

IUPAC2,3-ditert-butyl-4H-quinolizine
SMILESCC(C)(C)C1=C(C(C)(C)C)CN2C=CC=CC2=C1
InChIInChI=1S/C17H25N/c1-16(2,3)14-11-13-9-7-8-10-18(13)12-15(14)17(4,5)6/h7-11H,12H2,1-6H3
InChIKeyWLSOLVLIZAEOSK-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.66
Rot. Bonds

About 2,3-ditert-butyl-4H-quinolizine

2,3-ditert-butyl-4H-quinolizine (PubChem CID 155649439) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,3-ditert-butyl-4H-quinolizine.

Molecular Properties

Compound Name2,3-ditert-butyl-4H-quinolizine
PubChem CID155649439
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,3-ditert-butyl-4H-quinolizine
SMILESCC(C)(C)C1=C(C(C)(C)C)CN2C=CC=CC2=C1
InChIInChI=1S/C17H25N/c1-16(2,3)14-11-13-9-7-8-10-18(13)12-15(14)17(4,5)6/h7-11H,12H2,1-6H3
InChIKeyWLSOLVLIZAEOSK-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4H-quinolizine?
The IUPAC name of 2,3-ditert-butyl-4H-quinolizine (CID 155649439) is 2,3-ditert-butyl-4H-quinolizine.
What is the SMILES notation for 2,3-ditert-butyl-4H-quinolizine?
The canonical SMILES for 2,3-ditert-butyl-4H-quinolizine is CC(C)(C)C1=C(C(C)(C)C)CN2C=CC=CC2=C1.
What is the InChIKey of 2,3-ditert-butyl-4H-quinolizine?
The InChIKey is WLSOLVLIZAEOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-16(2,3)14-11-13-9-7-8-10-18(13)12-15(14)17(4,5)6/h7-11H,12H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-4H-quinolizine?
2,3-ditert-butyl-4H-quinolizine has a molecular weight of 243.39 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4H-quinolizine is sourced from PubChem (CID 155649439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).