6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C9H18N2O — CID 143932197

IUPAC6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCNC1CC(O)C2CCCN2C1
InChIInChI=1S/C9H18N2O/c1-10-7-5-9(12)8-3-2-4-11(8)6-7/h7-10,12H,2-6H2,1H3
InChIKeyRSLZTPAWKVUVMJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.20
Rot. Bonds1

About 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 143932197) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID143932197
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCNC1CC(O)C2CCCN2C1
InChIInChI=1S/C9H18N2O/c1-10-7-5-9(12)8-3-2-4-11(8)6-7/h7-10,12H,2-6H2,1H3
InChIKeyRSLZTPAWKVUVMJ-UHFFFAOYSA-N
XLogP-0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 143932197) is 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is CNC1CC(O)C2CCCN2C1.
What is the InChIKey of 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is RSLZTPAWKVUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-7-5-9(12)8-3-2-4-11(8)6-7/h7-10,12H,2-6H2,1H3.
What are the key properties of 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 170.26 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 143932197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).