8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C18H33N — CID 91716153

IUPAC8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC/C=C\CCCC1CCC(C)C2CCCN12
InChIInChI=1S/C18H33N/c1-3-4-5-6-7-8-9-11-17-14-13-16(2)18-12-10-15-19(17)18/h6-7,16-18H,3-5,8-15H2,1-2H3/b7-6-
InChIKeyVAMRTMKIIGIZAF-SREVYHEPSA-N
MW263.47 g/mol
LogP5.17
Rot. Bonds7

About 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 91716153) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID91716153
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCC/C=C\CCCC1CCC(C)C2CCCN12
InChIInChI=1S/C18H33N/c1-3-4-5-6-7-8-9-11-17-14-13-16(2)18-12-10-15-19(17)18/h6-7,16-18H,3-5,8-15H2,1-2H3/b7-6-
InChIKeyVAMRTMKIIGIZAF-SREVYHEPSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.17
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'}

Analyze 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

Gephyrotoxin 207a
CID 586750
(5R,8aR)-5-[(Z)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10106827
Piclavine A1
CID 10038417
(5R,8R,8aS)-5-(Hept-6-en-1-yl)-8-methyloctahydroindolizine
CID 586751
(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10355411
(5S,8aR)-5-[(Z)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10400550
(1R,8R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 134827995
(5R,8R,8aS)-5-[(Z)-hept-4-enyl]-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10998976
(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11745831
(2aR,3S,5S,5aR,8aR)-3,5,7-Trimethyl-2,2a,3,4,5,5a,6,8a-octahydro-1H-pyrrolo[2,1,5-de]quinolizine
CID 72775341
(1R,4R,8R,9S,11S)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11183344
(1S,4S,8S,9R,11R)-6,9,11-trimethyl-12-azatricyclo[6.3.1.04,12]dodec-5-ene
CID 11264207

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 91716153) is 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCC/C=C\CCCC1CCC(C)C2CCCN12.
What is the InChIKey of 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is VAMRTMKIIGIZAF-SREVYHEPSA-N. The full InChI is InChI=1S/C18H33N/c1-3-4-5-6-7-8-9-11-17-14-13-16(2)18-12-10-15-19(17)18/h6-7,16-18H,3-5,8-15H2,1-2H3/b7-6-.
What are the key properties of 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 263.47 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[(Z)-non-4-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 91716153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).