6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C13H25N — CID 170226749

IUPAC6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC(C)(C)C1CCC2CCCN2C1
InChIInChI=1S/C13H25N/c1-4-13(2,3)11-7-8-12-6-5-9-14(12)10-11/h11-12H,4-10H2,1-3H3
InChIKeyJDLFBKAJFLBOPL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine

6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 170226749) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID170226749
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC(C)(C)C1CCC2CCCN2C1
InChIInChI=1S/C13H25N/c1-4-13(2,3)11-7-8-12-6-5-9-14(12)10-11/h11-12H,4-10H2,1-3H3
InChIKeyJDLFBKAJFLBOPL-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 170226749) is 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is CCC(C)(C)C1CCC2CCCN2C1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is JDLFBKAJFLBOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-13(2,3)11-7-8-12-6-5-9-14(12)10-11/h11-12H,4-10H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 195.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 170226749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).