5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride

C9H15ClN2 — CID 155897349

IUPAC5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCn2cccc21
InChIInChI=1S/C9H14N2.ClH/c10-7-8-3-1-5-11-6-2-4-9(8)11;/h2,4,6,8H,1,3,5,7,10H2;1H
InChIKeySCNZBDRUIGDYQR-UHFFFAOYSA-N
MW186.69 g/mol
LogP1.75
Rot. Bonds1

About 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride

5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride (PubChem CID 155897349) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride
PubChem CID155897349
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCn2cccc21
InChIInChI=1S/C9H14N2.ClH/c10-7-8-3-1-5-11-6-2-4-9(8)11;/h2,4,6,8H,1,3,5,7,10H2;1H
InChIKeySCNZBDRUIGDYQR-UHFFFAOYSA-N
XLogP1.75
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride (CID 155897349) is 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride is Cl.NCC1CCCn2cccc21.
What is the InChIKey of 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride?
The InChIKey is SCNZBDRUIGDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.ClH/c10-7-8-3-1-5-11-6-2-4-9(8)11;/h2,4,6,8H,1,3,5,7,10H2;1H.
What are the key properties of 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride?
5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride has a molecular weight of 186.69 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroindolizin-8-ylmethanamine;hydrochloride is sourced from PubChem (CID 155897349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).