8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H27N — CID 14265442

IUPAC8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCC1CCC(C)C2CCCN12
InChIInChI=1S/C14H27N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h12-14H,3-11H2,1-2H3
InChIKeyVISJLQLSCZBDKE-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.83
Rot. Bonds4

About 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine

8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 14265442) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID14265442
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCC1CCC(C)C2CCCN12
InChIInChI=1S/C14H27N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h12-14H,3-11H2,1-2H3
InChIKeyVISJLQLSCZBDKE-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Hexyl-5-methyloctahydroindolizine
CID 370509
3-Ethyl-5-methylindolizidine
CID 370508
(3R,8aR)-3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
CID 18602170
1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine
CID 44335229
(3S,5R,8aR)-3-Butyl-5-methyloctahydroindolizine
CID 11019769
1H-Cyclopent(b)indolizinium, decahydro-4-methyl-, iodide
CID 203043
Pyrido(1,2-a)indolium, dodecahydro-5-methyl-, iodide
CID 203045
Octahydroindolizine-7-carbonitrile
CID 22931215
Monomorine I, (+)-
CID 185741
3-Butyl-5-propyloctahydroindolizine
CID 3085358
6,8-Diethyl-5-propylindolizidine
CID 72760744
(5S,6R,8S,8aR)-6,8-diethyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 15545699

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 14265442) is 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCCCC1CCC(C)C2CCCN12.
What is the InChIKey of 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is VISJLQLSCZBDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h12-14H,3-11H2,1-2H3.
What are the key properties of 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 209.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 14265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).