2H-quinolin-1-amine;dihydrochloride

C9H12Cl2N2 — CID 141446111

IUPAC2H-quinolin-1-amine;dihydrochloride
SMILESCl.Cl.NN1CC=Cc2ccccc21
InChIInChI=1S/C9H10N2.2ClH/c10-11-7-3-5-8-4-1-2-6-9(8)11;;/h1-6H,7,10H2;2*1H
InChIKeyRJZTYJXGWPVVSR-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.24
Rot. Bonds

About 2H-quinolin-1-amine;dihydrochloride

2H-quinolin-1-amine;dihydrochloride (PubChem CID 141446111) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 2H-quinolin-1-amine;dihydrochloride.

Molecular Properties

Compound Name2H-quinolin-1-amine;dihydrochloride
PubChem CID141446111
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name2H-quinolin-1-amine;dihydrochloride
SMILESCl.Cl.NN1CC=Cc2ccccc21
InChIInChI=1S/C9H10N2.2ClH/c10-11-7-3-5-8-4-1-2-6-9(8)11;;/h1-6H,7,10H2;2*1H
InChIKeyRJZTYJXGWPVVSR-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-quinolin-1-amine;dihydrochloride?
The IUPAC name of 2H-quinolin-1-amine;dihydrochloride (CID 141446111) is 2H-quinolin-1-amine;dihydrochloride.
What is the SMILES notation for 2H-quinolin-1-amine;dihydrochloride?
The canonical SMILES for 2H-quinolin-1-amine;dihydrochloride is Cl.Cl.NN1CC=Cc2ccccc21.
What is the InChIKey of 2H-quinolin-1-amine;dihydrochloride?
The InChIKey is RJZTYJXGWPVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.2ClH/c10-11-7-3-5-8-4-1-2-6-9(8)11;;/h1-6H,7,10H2;2*1H.
What are the key properties of 2H-quinolin-1-amine;dihydrochloride?
2H-quinolin-1-amine;dihydrochloride has a molecular weight of 219.12 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinolin-1-amine;dihydrochloride is sourced from PubChem (CID 141446111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).