(8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

C9H17N — CID 101002227

IUPAC(8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC[C@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C9H17N/c1-8-4-2-6-10-7-3-5-9(8)10/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyIUMLDTRLJSLIFQ-DTWKUNHWSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine

(8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 101002227) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID101002227
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC[C@H]1CCCN2CCC[C@H]12
InChIInChI=1S/C9H17N/c1-8-4-2-6-10-7-3-5-9(8)10/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyIUMLDTRLJSLIFQ-DTWKUNHWSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 101002227) is (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is C[C@H]1CCCN2CCC[C@H]12.
What is the InChIKey of (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is IUMLDTRLJSLIFQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17N/c1-8-4-2-6-10-7-3-5-9(8)10/h8-9H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine?
(8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 101002227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).