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

C16H29N — CID 586751

IUPAC5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCCCCCC1CCC(C)C2CCCN12
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-9-15-12-11-14(2)16-10-8-13-17(15)16/h3,14-16H,1,4-13H2,2H3
InChIKeyAQVPQPSGQZHEBC-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.39
Rot. Bonds6

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

5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 586751) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID586751
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCCCCCC1CCC(C)C2CCCN12
InChIInChI=1S/C16H29N/c1-3-4-5-6-7-9-15-12-11-14(2)16-10-8-13-17(15)16/h3,14-16H,1,4-13H2,2H3
InChIKeyAQVPQPSGQZHEBC-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 586751) is 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C=CCCCCCC1CCC(C)C2CCCN12.
What is the InChIKey of 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is AQVPQPSGQZHEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-4-5-6-7-9-15-12-11-14(2)16-10-8-13-17(15)16/h3,14-16H,1,4-13H2,2H3.
What are the key properties of 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 235.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-6-enyl-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 586751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).