3,8-diethylquinolin-2-amine;hydrochloride

C13H17ClN2 — CID 43866005

IUPAC3,8-diethylquinolin-2-amine;hydrochloride
SMILESCCc1cc2cccc(CC)c2nc1N.Cl
InChIInChI=1S/C13H16N2.ClH/c1-3-9-6-5-7-11-8-10(4-2)13(14)15-12(9)11;/h5-8H,3-4H2,1-2H3,(H2,14,15);1H
InChIKeyKOBXZARBXPMFGE-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.36
Rot. Bonds2

About 3,8-diethylquinolin-2-amine;hydrochloride

3,8-diethylquinolin-2-amine;hydrochloride (PubChem CID 43866005) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3,8-diethylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3,8-diethylquinolin-2-amine;hydrochloride
PubChem CID43866005
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3,8-diethylquinolin-2-amine;hydrochloride
SMILESCCc1cc2cccc(CC)c2nc1N.Cl
InChIInChI=1S/C13H16N2.ClH/c1-3-9-6-5-7-11-8-10(4-2)13(14)15-12(9)11;/h5-8H,3-4H2,1-2H3,(H2,14,15);1H
InChIKeyKOBXZARBXPMFGE-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-diethylquinolin-2-amine;hydrochloride?
The IUPAC name of 3,8-diethylquinolin-2-amine;hydrochloride (CID 43866005) is 3,8-diethylquinolin-2-amine;hydrochloride.
What is the SMILES notation for 3,8-diethylquinolin-2-amine;hydrochloride?
The canonical SMILES for 3,8-diethylquinolin-2-amine;hydrochloride is CCc1cc2cccc(CC)c2nc1N.Cl.
What is the InChIKey of 3,8-diethylquinolin-2-amine;hydrochloride?
The InChIKey is KOBXZARBXPMFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c1-3-9-6-5-7-11-8-10(4-2)13(14)15-12(9)11;/h5-8H,3-4H2,1-2H3,(H2,14,15);1H.
What are the key properties of 3,8-diethylquinolin-2-amine;hydrochloride?
3,8-diethylquinolin-2-amine;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 43866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).