8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H23N — CID 586661

IUPAC8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC#CCCCC1CCC(C)C2CCCN12
InChIInChI=1S/C14H23N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h1,12-14H,4-11H2,2H3
InChIKeyZZXULMJOWKRHSL-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.05
Rot. Bonds3

About 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine

8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 586661) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID586661
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC#CCCCC1CCC(C)C2CCCN12
InChIInChI=1S/C14H23N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h1,12-14H,4-11H2,2H3
InChIKeyZZXULMJOWKRHSL-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 586661) is 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C#CCCCC1CCC(C)C2CCCN12.
What is the InChIKey of 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is ZZXULMJOWKRHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h1,12-14H,4-11H2,2H3.
What are the key properties of 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 205.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 586661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).