7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H27N — CID 171396596

IUPAC7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)CCCC1CCN2CCCC2C1
InChIInChI=1S/C14H27N/c1-12(2)5-3-6-13-8-10-15-9-4-7-14(15)11-13/h12-14H,3-11H2,1-2H3
InChIKeyLCJZXPRCCLUYPH-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.69
Rot. Bonds4

About 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 171396596) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID171396596
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC(C)CCCC1CCN2CCCC2C1
InChIInChI=1S/C14H27N/c1-12(2)5-3-6-13-8-10-15-9-4-7-14(15)11-13/h12-14H,3-11H2,1-2H3
InChIKeyLCJZXPRCCLUYPH-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 171396596) is 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is CC(C)CCCC1CCN2CCCC2C1.
What is the InChIKey of 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is LCJZXPRCCLUYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)5-3-6-13-8-10-15-9-4-7-14(15)11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 209.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpentyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 171396596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).