1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine

C9H18N2 — CID 126970906

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine
SMILESNCC1CCCC2CCCN12
InChIInChI=1S/C9H18N2/c10-7-9-4-1-3-8-5-2-6-11(8)9/h8-9H,1-7,10H2
InChIKeyWDODLVVYFDGBSG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds1

About 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine

1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine (PubChem CID 126970906) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine
PubChem CID126970906
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine
SMILESNCC1CCCC2CCCN12
InChIInChI=1S/C9H18N2/c10-7-9-4-1-3-8-5-2-6-11(8)9/h8-9H,1-7,10H2
InChIKeyWDODLVVYFDGBSG-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine (CID 126970906) is 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine is NCC1CCCC2CCCN12.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine?
The InChIKey is WDODLVVYFDGBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-7-9-4-1-3-8-5-2-6-11(8)9/h8-9H,1-7,10H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine?
1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroindolizin-5-ylmethanamine is sourced from PubChem (CID 126970906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).