(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C16H32N2O — CID 143932194

IUPAC(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCCCCCCN[C@@H]1C[C@H](O)C2CCCN2C1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-10-17-14-12-16(19)15-9-8-11-18(15)13-14/h14-17,19H,2-13H2,1H3/t14-,15?,16+/m1/s1
InChIKeyKPXSTYVDIZAHCS-TUOGLVOQSA-N
MW268.44 g/mol
LogP2.53
Rot. Bonds8

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

(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 143932194) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID143932194
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESCCCCCCCCN[C@@H]1C[C@H](O)C2CCCN2C1
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-10-17-14-12-16(19)15-9-8-11-18(15)13-14/h14-17,19H,2-13H2,1H3/t14-,15?,16+/m1/s1
InChIKeyKPXSTYVDIZAHCS-TUOGLVOQSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 143932194) is (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is CCCCCCCCN[C@@H]1C[C@H](O)C2CCCN2C1.
What is the InChIKey of (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is KPXSTYVDIZAHCS-TUOGLVOQSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-10-17-14-12-16(19)15-9-8-11-18(15)13-14/h14-17,19H,2-13H2,1H3/t14-,15?,16+/m1/s1.
What are the key properties of (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
(6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 268.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-6-(octylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 143932194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).