1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride

C9H13ClN2 — CID 71711078

IUPAC1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
SMILESCl.Nc1cccc2c1NCCC2
InChIInChI=1S/C9H12N2.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6,10H2;1H
InChIKeyDLTPSLJLSVMXHE-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.05
Rot. Bonds

About 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride

1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride (PubChem CID 71711078) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
PubChem CID71711078
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
SMILESCl.Nc1cccc2c1NCCC2
InChIInChI=1S/C9H12N2.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6,10H2;1H
InChIKeyDLTPSLJLSVMXHE-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride (CID 71711078) is 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride is Cl.Nc1cccc2c1NCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride?
The InChIKey is DLTPSLJLSVMXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6,10H2;1H.
What are the key properties of 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride?
1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride is sourced from PubChem (CID 71711078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).