(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

C8H16N2O — CID 11105600

IUPAC(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESN[C@H]1CC[C@H]2[C@@H](O)CCN2C1
InChIInChI=1S/C8H16N2O/c9-6-1-2-7-8(11)3-4-10(7)5-6/h6-8,11H,1-5,9H2/t6-,7-,8-/m0/s1
InChIKeyFUEOWQNIWDQPQO-FXQIFTODSA-N
MW156.23 g/mol
LogP-0.46
Rot. Bonds

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

(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (PubChem CID 11105600) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.

Molecular Properties

Compound Name(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
PubChem CID11105600
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESN[C@H]1CC[C@H]2[C@@H](O)CCN2C1
InChIInChI=1S/C8H16N2O/c9-6-1-2-7-8(11)3-4-10(7)5-6/h6-8,11H,1-5,9H2/t6-,7-,8-/m0/s1
InChIKeyFUEOWQNIWDQPQO-FXQIFTODSA-N
XLogP-0.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The IUPAC name of (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (CID 11105600) is (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.
What is the SMILES notation for (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The canonical SMILES for (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is N[C@H]1CC[C@H]2[C@@H](O)CCN2C1.
What is the InChIKey of (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The InChIKey is FUEOWQNIWDQPQO-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16N2O/c9-6-1-2-7-8(11)3-4-10(7)5-6/h6-8,11H,1-5,9H2/t6-,7-,8-/m0/s1.
What are the key properties of (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
(1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol has a molecular weight of 156.23 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8aS)-6-amino-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is sourced from PubChem (CID 11105600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).