3,8-diethylquinolin-2-amine

C13H16N2 — CID 17039687

IUPAC3,8-diethylquinolin-2-amine
SMILESCCc1cc2cccc(CC)c2nc1N
InChIInChI=1S/C13H16N2/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)
InChIKeyWKCOWLLZBGOAKT-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.94
Rot. Bonds2

About 3,8-diethylquinolin-2-amine

3,8-diethylquinolin-2-amine (PubChem CID 17039687) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3,8-diethylquinolin-2-amine.

Molecular Properties

Compound Name3,8-diethylquinolin-2-amine
PubChem CID17039687
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3,8-diethylquinolin-2-amine
SMILESCCc1cc2cccc(CC)c2nc1N
InChIInChI=1S/C13H16N2/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)
InChIKeyWKCOWLLZBGOAKT-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.94
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?
The IUPAC name of 3,8-diethylquinolin-2-amine (CID 17039687) is 3,8-diethylquinolin-2-amine.
What is the SMILES notation for 3,8-diethylquinolin-2-amine?
The canonical SMILES for 3,8-diethylquinolin-2-amine is CCc1cc2cccc(CC)c2nc1N.
What is the InChIKey of 3,8-diethylquinolin-2-amine?
The InChIKey is WKCOWLLZBGOAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/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).
What are the key properties of 3,8-diethylquinolin-2-amine?
3,8-diethylquinolin-2-amine has a molecular weight of 200.28 g/mol, XLogP of 2.94, 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 is sourced from PubChem (CID 17039687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).