(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H25N — CID 11745831

IUPAC(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN12
InChIInChI=1S/C14H25N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h3,12-14H,1,4-11H2,2H3/t12-,13-,14+/m1/s1
InChIKeyOHDBFRJCRJQLRN-MCIONIFRSA-N
MW207.36 g/mol
LogP3.61
Rot. Bonds4

About (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 11745831) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID11745831
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=CCCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN12
InChIInChI=1S/C14H25N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h3,12-14H,1,4-11H2,2H3/t12-,13-,14+/m1/s1
InChIKeyOHDBFRJCRJQLRN-MCIONIFRSA-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': '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 (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 11745831) is (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C=CCCC[C@@H]1CC[C@@H](C)[C@@H]2CCCN12.
What is the InChIKey of (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is OHDBFRJCRJQLRN-MCIONIFRSA-N. The full InChI is InChI=1S/C14H25N/c1-3-4-5-7-13-10-9-12(2)14-8-6-11-15(13)14/h3,12-14H,1,4-11H2,2H3/t12-,13-,14+/m1/s1.
What are the key properties of (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine 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 (5R,8R,8aS)-8-methyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 11745831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).