(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H27N — CID 44597339

IUPAC(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CC[C@@H]1[C@H](C)C[C@@H](CCC)[C@@H]2CCCN12
InChIInChI=1S/C15H27N/c1-4-7-13-11-12(3)14(8-5-2)16-10-6-9-15(13)16/h5,12-15H,2,4,6-11H2,1,3H3/t12-,13-,14-,15+/m1/s1
InChIKeyGWLLWRPKXTVQMM-TUVASFSCSA-N
MW221.39 g/mol
LogP3.85
Rot. Bonds4

About (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 44597339) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID44597339
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CC[C@@H]1[C@H](C)C[C@@H](CCC)[C@@H]2CCCN12
InChIInChI=1S/C15H27N/c1-4-7-13-11-12(3)14(8-5-2)16-10-6-9-15(13)16/h5,12-15H,2,4,6-11H2,1,3H3/t12-,13-,14-,15+/m1/s1
InChIKeyGWLLWRPKXTVQMM-TUVASFSCSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,3S,4S,9aR)-1,3-dimethyl-4-propyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 134860293
(5R,6S,8R,8aS)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10609151
8-ethyl-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 86094387
2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 91735954
(1S,3R,7R,8S,10S)-8-ethyl-3-prop-2-enyl-10-propyl-11-azatricyclo[5.3.1.04,11]undecane
CID 101233333
2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 85205277
(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 76850671
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276
N-[[2-(2,3-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 80996996

Frequently Asked Questions

What is the IUPAC name of (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 44597339) is (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C=CC[C@@H]1[C@H](C)C[C@@H](CCC)[C@@H]2CCCN12.
What is the InChIKey of (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is GWLLWRPKXTVQMM-TUVASFSCSA-N. The full InChI is InChI=1S/C15H27N/c1-4-7-13-11-12(3)14(8-5-2)16-10-6-9-15(13)16/h5,12-15H,2,4,6-11H2,1,3H3/t12-,13-,14-,15+/m1/s1.
What are the key properties of (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 221.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,8R,8aS)-6-methyl-5-prop-2-enyl-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 44597339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).