(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H29N — CID 15545699

IUPAC(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC[C@H]1[C@H](CC)C[C@H](CC)[C@H]2CCCN21
InChIInChI=1S/C15H29N/c1-4-8-14-12(5-2)11-13(6-3)15-9-7-10-16(14)15/h12-15H,4-11H2,1-3H3/t12-,13+,14+,15-/m1/s1
InChIKeyKLAVYZANGNRVOB-CBBWQLFWSA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds4

About (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 15545699) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID15545699
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCC[C@H]1[C@H](CC)C[C@H](CC)[C@H]2CCCN21
InChIInChI=1S/C15H29N/c1-4-8-14-12(5-2)11-13(6-3)15-9-7-10-16(14)15/h12-15H,4-11H2,1-3H3/t12-,13+,14+,15-/m1/s1
InChIKeyKLAVYZANGNRVOB-CBBWQLFWSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 15545699) is (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCC[C@H]1[C@H](CC)C[C@H](CC)[C@H]2CCCN21.
What is the InChIKey of (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KLAVYZANGNRVOB-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H29N/c1-4-8-14-12(5-2)11-13(6-3)15-9-7-10-16(14)15/h12-15H,4-11H2,1-3H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 223.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 15545699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).