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

C14H27N — CID 155035207

IUPAC2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC(C)(C)C1CC2CCCCN2C1
InChIInChI=1S/C14H27N/c1-4-8-14(2,3)12-10-13-7-5-6-9-15(13)11-12/h12-13H,4-11H2,1-3H3
InChIKeyLKLLIBLBRVRNPU-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds3

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

2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 155035207) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID155035207
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC(C)(C)C1CC2CCCCN2C1
InChIInChI=1S/C14H27N/c1-4-8-14(2,3)12-10-13-7-5-6-9-15(13)11-12/h12-13H,4-11H2,1-3H3
InChIKeyLKLLIBLBRVRNPU-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 155035207) is 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCC(C)(C)C1CC2CCCCN2C1.
What is the InChIKey of 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is LKLLIBLBRVRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-8-14(2,3)12-10-13-7-5-6-9-15(13)11-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 209.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 155035207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).