(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine

C8H16N2 — CID 96637185

IUPAC(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine
SMILESN[C@@H]1CCCN2CCC[C@@H]12
InChIInChI=1S/C8H16N2/c9-7-3-1-5-10-6-2-4-8(7)10/h7-8H,1-6,9H2/t7-,8+/m1/s1
InChIKeySHXUPEAVNUWGDU-SFYZADRCSA-N
MW140.23 g/mol
LogP0.57
Rot. Bonds

About (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine

(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine (PubChem CID 96637185) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine.

Molecular Properties

Compound Name(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine
PubChem CID96637185
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine
SMILESN[C@@H]1CCCN2CCC[C@@H]12
InChIInChI=1S/C8H16N2/c9-7-3-1-5-10-6-2-4-8(7)10/h7-8H,1-6,9H2/t7-,8+/m1/s1
InChIKeySHXUPEAVNUWGDU-SFYZADRCSA-N
XLogP0.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine?
The IUPAC name of (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine (CID 96637185) is (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine.
What is the SMILES notation for (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine?
The canonical SMILES for (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine is N[C@@H]1CCCN2CCC[C@@H]12.
What is the InChIKey of (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine?
The InChIKey is SHXUPEAVNUWGDU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2/c9-7-3-1-5-10-6-2-4-8(7)10/h7-8H,1-6,9H2/t7-,8+/m1/s1.
What are the key properties of (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine?
(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine has a molecular weight of 140.23 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-amine is sourced from PubChem (CID 96637185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).