4-N,2-diethylquinoline-4,6-diamine

C13H17N3 — CID 112655264

IUPAC4-N,2-diethylquinoline-4,6-diamine
SMILESCCNc1cc(CC)nc2ccc(N)cc12
InChIInChI=1S/C13H17N3/c1-3-10-8-13(15-4-2)11-7-9(14)5-6-12(11)16-10/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyJEIISMKPHSFEQD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.81
Rot. Bonds3

About 4-N,2-diethylquinoline-4,6-diamine

4-N,2-diethylquinoline-4,6-diamine (PubChem CID 112655264) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-N,2-diethylquinoline-4,6-diamine.

Molecular Properties

Compound Name4-N,2-diethylquinoline-4,6-diamine
PubChem CID112655264
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-N,2-diethylquinoline-4,6-diamine
SMILESCCNc1cc(CC)nc2ccc(N)cc12
InChIInChI=1S/C13H17N3/c1-3-10-8-13(15-4-2)11-7-9(14)5-6-12(11)16-10/h5-8H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyJEIISMKPHSFEQD-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-diethylquinoline-4,6-diamine?
The IUPAC name of 4-N,2-diethylquinoline-4,6-diamine (CID 112655264) is 4-N,2-diethylquinoline-4,6-diamine.
What is the SMILES notation for 4-N,2-diethylquinoline-4,6-diamine?
The canonical SMILES for 4-N,2-diethylquinoline-4,6-diamine is CCNc1cc(CC)nc2ccc(N)cc12.
What is the InChIKey of 4-N,2-diethylquinoline-4,6-diamine?
The InChIKey is JEIISMKPHSFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-10-8-13(15-4-2)11-7-9(14)5-6-12(11)16-10/h5-8H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 4-N,2-diethylquinoline-4,6-diamine?
4-N,2-diethylquinoline-4,6-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-diethylquinoline-4,6-diamine is sourced from PubChem (CID 112655264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).