5-tert-butyl-5,6,7,8-tetrahydroindolizine

C12H19N — CID 160549837

IUPAC5-tert-butyl-5,6,7,8-tetrahydroindolizine
SMILESCC(C)(C)C1CCCc2cccn21
InChIInChI=1S/C12H19N/c1-12(2,3)11-8-4-6-10-7-5-9-13(10)11/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyJBOKRRLCFKFPQE-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.41
Rot. Bonds

About 5-tert-butyl-5,6,7,8-tetrahydroindolizine

5-tert-butyl-5,6,7,8-tetrahydroindolizine (PubChem CID 160549837) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 5-tert-butyl-5,6,7,8-tetrahydroindolizine.

Molecular Properties

Compound Name5-tert-butyl-5,6,7,8-tetrahydroindolizine
PubChem CID160549837
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name5-tert-butyl-5,6,7,8-tetrahydroindolizine
SMILESCC(C)(C)C1CCCc2cccn21
InChIInChI=1S/C12H19N/c1-12(2,3)11-8-4-6-10-7-5-9-13(10)11/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyJBOKRRLCFKFPQE-UHFFFAOYSA-N
XLogP3.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5,6,7,8-tetrahydroindolizine?
The IUPAC name of 5-tert-butyl-5,6,7,8-tetrahydroindolizine (CID 160549837) is 5-tert-butyl-5,6,7,8-tetrahydroindolizine.
What is the SMILES notation for 5-tert-butyl-5,6,7,8-tetrahydroindolizine?
The canonical SMILES for 5-tert-butyl-5,6,7,8-tetrahydroindolizine is CC(C)(C)C1CCCc2cccn21.
What is the InChIKey of 5-tert-butyl-5,6,7,8-tetrahydroindolizine?
The InChIKey is JBOKRRLCFKFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,3)11-8-4-6-10-7-5-9-13(10)11/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of 5-tert-butyl-5,6,7,8-tetrahydroindolizine?
5-tert-butyl-5,6,7,8-tetrahydroindolizine has a molecular weight of 177.29 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5,6,7,8-tetrahydroindolizine is sourced from PubChem (CID 160549837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).