1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C8H16N2 — CID 43810752

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESNC1CCN2CCCCC12
InChIInChI=1S/C8H16N2/c9-7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6,9H2
InChIKeyRBFAPBHHGYLKEK-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.57
Rot. Bonds

About 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43810752) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43810752
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESNC1CCN2CCCCC12
InChIInChI=1S/C8H16N2/c9-7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6,9H2
InChIKeyRBFAPBHHGYLKEK-UHFFFAOYSA-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 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43810752) is 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is NC1CCN2CCCCC12.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is RBFAPBHHGYLKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-7-4-6-10-5-2-1-3-8(7)10/h7-8H,1-6,9H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
1,2,3,5,6,7,8,8a-octahydroindolizin-1-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 1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43810752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).