5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C16H29N — CID 91721269

IUPAC5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC/C=C\CCC1C(C)CC(C)C2CCCN12
InChIInChI=1S/C16H29N/c1-4-5-6-7-9-15-13(2)12-14(3)16-10-8-11-17(15)16/h5-6,13-16H,4,7-12H2,1-3H3/b6-5-
InChIKeyURYDNFWWNGXTBI-WAYWQWQTSA-N
MW235.41 g/mol
LogP4.24
Rot. Bonds4

About 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine

5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 91721269) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID91721269
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCC/C=C\CCC1C(C)CC(C)C2CCCN12
InChIInChI=1S/C16H29N/c1-4-5-6-7-9-15-13(2)12-14(3)16-10-8-11-17(15)16/h5-6,13-16H,4,7-12H2,1-3H3/b6-5-
InChIKeyURYDNFWWNGXTBI-WAYWQWQTSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 91721269) is 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine is CC/C=C\CCC1C(C)CC(C)C2CCCN12.
What is the InChIKey of 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is URYDNFWWNGXTBI-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H29N/c1-4-5-6-7-9-15-13(2)12-14(3)16-10-8-11-17(15)16/h5-6,13-16H,4,7-12H2,1-3H3/b6-5-.
What are the key properties of 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 235.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hex-3-enyl]-6,8-dimethyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 91721269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).