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

C15H29N — CID 10609151

IUPAC(5R,6S,8R,8aS)-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]2CCCN12
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-/m0/s1
InChIKeyKLAVYZANGNRVOB-YJNKXOJESA-N
MW223.40 g/mol
LogP4.08
Rot. Bonds4

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

(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 10609151) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID10609151
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(5R,6S,8R,8aS)-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]2CCCN12
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-/m0/s1
InChIKeyKLAVYZANGNRVOB-YJNKXOJESA-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

Analyze (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 85205277
2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 91735954
(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 134860293
(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 44597339
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
[(5R,6S,7S,8S,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] methanesulfonate
CID 102353435
[2-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 60974547
[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propylcyclohexyl]methanamine
CID 62886963
4-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83052555
8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 86094387
8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 72998723
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579

Frequently Asked Questions

What is the IUPAC name of (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 10609151) is (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5R,6S,8R,8aS)-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]2CCCN12.
What is the InChIKey of (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KLAVYZANGNRVOB-YJNKXOJESA-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-/m0/s1.
What are the key properties of (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5R,6S,8R,8aS)-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 (5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 10609151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).