1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride

C9H20Cl2N2 — CID 54594319

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CC2CCCCN2C1
InChIInChI=1S/C9H18N2.2ClH/c10-6-8-5-9-3-1-2-4-11(9)7-8;;/h8-9H,1-7,10H2;2*1H
InChIKeyKJNUEKSFDARRQC-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.66
Rot. Bonds1

About 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride

1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride (PubChem CID 54594319) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride
PubChem CID54594319
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CC2CCCCN2C1
InChIInChI=1S/C9H18N2.2ClH/c10-6-8-5-9-3-1-2-4-11(9)7-8;;/h8-9H,1-7,10H2;2*1H
InChIKeyKJNUEKSFDARRQC-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.66
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-2-ylmethanamine;dihydrochloride?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride (CID 54594319) is 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride is Cl.Cl.NCC1CC2CCCCN2C1.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride?
The InChIKey is KJNUEKSFDARRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c10-6-8-5-9-3-1-2-4-11(9)7-8;;/h8-9H,1-7,10H2;2*1H.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride?
1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethanamine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.66, 1 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-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 54594319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).