5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine

C14H25N — CID 74340586

IUPAC5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCCCC1C=CC(CCC)N2CCCC12
InChIInChI=1S/C14H25N/c1-3-6-12-9-10-13(7-4-2)15-11-5-8-14(12)15/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyHJFGDILHQAQKCX-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.61
Rot. Bonds4

About 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine

5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine (PubChem CID 74340586) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine
PubChem CID74340586
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine
SMILESCCCC1C=CC(CCC)N2CCCC12
InChIInChI=1S/C14H25N/c1-3-6-12-9-10-13(7-4-2)15-11-5-8-14(12)15/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyHJFGDILHQAQKCX-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.61
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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine?
The IUPAC name of 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine (CID 74340586) is 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine.
What is the SMILES notation for 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine?
The canonical SMILES for 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine is CCCC1C=CC(CCC)N2CCCC12.
What is the InChIKey of 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine?
The InChIKey is HJFGDILHQAQKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-6-12-9-10-13(7-4-2)15-11-5-8-14(12)15/h9-10,12-14H,3-8,11H2,1-2H3.
What are the key properties of 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine?
5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine has a molecular weight of 207.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dipropyl-1,2,3,5,8,8a-hexahydroindolizine is sourced from PubChem (CID 74340586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).