2-tert-butyl-3-ethyl-4H-quinolizine

C15H21N — CID 155403593

IUPAC2-tert-butyl-3-ethyl-4H-quinolizine
SMILESCCC1=C(C(C)(C)C)C=C2C=CC=CN2C1
InChIInChI=1S/C15H21N/c1-5-12-11-16-9-7-6-8-13(16)10-14(12)15(2,3)4/h6-10H,5,11H2,1-4H3
InChIKeyFCNZBHCUXAXKIH-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.02
Rot. Bonds1

About 2-tert-butyl-3-ethyl-4H-quinolizine

2-tert-butyl-3-ethyl-4H-quinolizine (PubChem CID 155403593) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-4H-quinolizine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-4H-quinolizine
PubChem CID155403593
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-tert-butyl-3-ethyl-4H-quinolizine
SMILESCCC1=C(C(C)(C)C)C=C2C=CC=CN2C1
InChIInChI=1S/C15H21N/c1-5-12-11-16-9-7-6-8-13(16)10-14(12)15(2,3)4/h6-10H,5,11H2,1-4H3
InChIKeyFCNZBHCUXAXKIH-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-4H-quinolizine?
The IUPAC name of 2-tert-butyl-3-ethyl-4H-quinolizine (CID 155403593) is 2-tert-butyl-3-ethyl-4H-quinolizine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-4H-quinolizine?
The canonical SMILES for 2-tert-butyl-3-ethyl-4H-quinolizine is CCC1=C(C(C)(C)C)C=C2C=CC=CN2C1.
What is the InChIKey of 2-tert-butyl-3-ethyl-4H-quinolizine?
The InChIKey is FCNZBHCUXAXKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-12-11-16-9-7-6-8-13(16)10-14(12)15(2,3)4/h6-10H,5,11H2,1-4H3.
What are the key properties of 2-tert-butyl-3-ethyl-4H-quinolizine?
2-tert-butyl-3-ethyl-4H-quinolizine has a molecular weight of 215.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-4H-quinolizine is sourced from PubChem (CID 155403593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).