7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C12H23N — CID 89424256

IUPAC7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)(C)C1CCN2CCCC2C1
InChIInChI=1S/C12H23N/c1-12(2,3)10-6-8-13-7-4-5-11(13)9-10/h10-11H,4-9H2,1-3H3
InChIKeyOPUWSKDGIKRHCI-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds

About 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine

7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 89424256) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID89424256
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)(C)C1CCN2CCCC2C1
InChIInChI=1S/C12H23N/c1-12(2,3)10-6-8-13-7-4-5-11(13)9-10/h10-11H,4-9H2,1-3H3
InChIKeyOPUWSKDGIKRHCI-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 89424256) is 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC(C)(C)C1CCN2CCCC2C1.
What is the InChIKey of 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is OPUWSKDGIKRHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)10-6-8-13-7-4-5-11(13)9-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 181.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 89424256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).