(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C15H29NO — CID 25033910

IUPAC(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCC[C@H]1CC[C@H]2[C@H](O)CC[C@@H](CCC)N12
InChIInChI=1S/C15H29NO/c1-3-5-7-13-8-10-14-15(17)11-9-12(6-4-2)16(13)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15-/m1/s1
InChIKeyOWUDYXYKBKVMPE-CBBWQLFWSA-N
MW239.40 g/mol
LogP3.33
Rot. Bonds5

About (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 25033910) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID25033910
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCC[C@H]1CC[C@H]2[C@H](O)CC[C@@H](CCC)N12
InChIInChI=1S/C15H29NO/c1-3-5-7-13-8-10-14-15(17)11-9-12(6-4-2)16(13)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15-/m1/s1
InChIKeyOWUDYXYKBKVMPE-CBBWQLFWSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 25033910) is (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is CCCC[C@H]1CC[C@H]2[C@H](O)CC[C@@H](CCC)N12.
What is the InChIKey of (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is OWUDYXYKBKVMPE-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-7-13-8-10-14-15(17)11-9-12(6-4-2)16(13)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
(3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 239.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,8R,8aS)-3-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 25033910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).