(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

C22H28N2O — CID 10019927

IUPAC(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESO[C@H]1CCN2C[C@@H](N(Cc3ccccc3)Cc3ccccc3)CC[C@H]12
InChIInChI=1S/C22H28N2O/c25-22-13-14-23-17-20(11-12-21(22)23)24(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20-,21+,22-/m0/s1
InChIKeyJXXIYVYDDPXBIP-BDTNDASRSA-N
MW336.48 g/mol
LogP3.29
Rot. Bonds5

About (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (PubChem CID 10019927) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.

Molecular Properties

Compound Name(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
PubChem CID10019927
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESO[C@H]1CCN2C[C@@H](N(Cc3ccccc3)Cc3ccccc3)CC[C@H]12
InChIInChI=1S/C22H28N2O/c25-22-13-14-23-17-20(11-12-21(22)23)24(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20-,21+,22-/m0/s1
InChIKeyJXXIYVYDDPXBIP-BDTNDASRSA-N
XLogP3.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The IUPAC name of (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (CID 10019927) is (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.
What is the SMILES notation for (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The canonical SMILES for (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is O[C@H]1CCN2C[C@@H](N(Cc3ccccc3)Cc3ccccc3)CC[C@H]12.
What is the InChIKey of (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The InChIKey is JXXIYVYDDPXBIP-BDTNDASRSA-N. The full InChI is InChI=1S/C22H28N2O/c25-22-13-14-23-17-20(11-12-21(22)23)24(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-22,25H,11-17H2/t20-,21+,22-/m0/s1.
What are the key properties of (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol has a molecular weight of 336.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is sourced from PubChem (CID 10019927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).