trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol

C13H24N2O — CID 102733298

IUPACtrans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NC1CCN2CCCCC12
InChIInChI=1S/C13H24N2O/c16-13-6-3-4-11(13)14-10-7-9-15-8-2-1-5-12(10)15/h10-14,16H,1-9H2/t10?,11-,12?,13-/m0/s1
InChIKeyBUYSUXKNQWAGAD-MVKMKZAISA-N
MW224.35 g/mol
LogP1.12
Rot. Bonds2

About trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol (PubChem CID 102733298) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
PubChem CID102733298
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nametrans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NC1CCN2CCCCC12
InChIInChI=1S/C13H24N2O/c16-13-6-3-4-11(13)14-10-7-9-15-8-2-1-5-12(10)15/h10-14,16H,1-9H2/t10?,11-,12?,13-/m0/s1
InChIKeyBUYSUXKNQWAGAD-MVKMKZAISA-N
XLogP1.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol with MolForge

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Related Compounds

(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 11105600
(Octahydropyrrolo[1,2-a]pyrazin-6-yl)methanol
CID 59144400
Deacetyl-slafranine
CID 20027333
6-(1-Pyrrolidinylmethyl)-3-piperidinol
CID 15123257
(+/-)-(6R,8aS)-octahydropyrrolo[1,2-a]pyrazin-6-ylmethanol
CID 58812227
[(6R)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 143411461
(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932194
6-(Methylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932197
6-(Ethylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932199
(6R,8S)-6-(pentan-2-ylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932205
6-Amino-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932216
6-(Butylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932223

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol (CID 102733298) is trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NC1CCN2CCCCC12.
What is the InChIKey of trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol?
The InChIKey is BUYSUXKNQWAGAD-MVKMKZAISA-N. The full InChI is InChI=1S/C13H24N2O/c16-13-6-3-4-11(13)14-10-7-9-15-8-2-1-5-12(10)15/h10-14,16H,1-9H2/t10?,11-,12?,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).