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

C12H23N — CID 154618088

IUPAC2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)(C)C1CC2CCCCN2C1
InChIInChI=1S/C12H23N/c1-12(2,3)10-8-11-6-4-5-7-13(11)9-10/h10-11H,4-9H2,1-3H3
InChIKeyNXMUZHHFHKNTSY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds

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

2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 154618088) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID154618088
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)(C)C1CC2CCCCN2C1
InChIInChI=1S/C12H23N/c1-12(2,3)10-8-11-6-4-5-7-13(11)9-10/h10-11H,4-9H2,1-3H3
InChIKeyNXMUZHHFHKNTSY-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 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 154618088) is 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC(C)(C)C1CC2CCCCN2C1.
What is the InChIKey of 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is NXMUZHHFHKNTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)10-8-11-6-4-5-7-13(11)9-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-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 2-tert-butyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 154618088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).