4-ethyl-3-methylquinoline-2,6-diamine

C12H15N3 — CID 22018922

IUPAC4-ethyl-3-methylquinoline-2,6-diamine
SMILESCCc1c(C)c(N)nc2ccc(N)cc12
InChIInChI=1S/C12H15N3/c1-3-9-7(2)12(14)15-11-5-4-8(13)6-10(9)11/h4-6H,3,13H2,1-2H3,(H2,14,15)
InChIKeyBSTNVZWFILFKGN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.27
Rot. Bonds1

About 4-ethyl-3-methylquinoline-2,6-diamine

4-ethyl-3-methylquinoline-2,6-diamine (PubChem CID 22018922) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-ethyl-3-methylquinoline-2,6-diamine.

Molecular Properties

Compound Name4-ethyl-3-methylquinoline-2,6-diamine
PubChem CID22018922
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-ethyl-3-methylquinoline-2,6-diamine
SMILESCCc1c(C)c(N)nc2ccc(N)cc12
InChIInChI=1S/C12H15N3/c1-3-9-7(2)12(14)15-11-5-4-8(13)6-10(9)11/h4-6H,3,13H2,1-2H3,(H2,14,15)
InChIKeyBSTNVZWFILFKGN-UHFFFAOYSA-N
XLogP2.27
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.27
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-ethyl-3-methylquinoline-2,6-diamine?
The IUPAC name of 4-ethyl-3-methylquinoline-2,6-diamine (CID 22018922) is 4-ethyl-3-methylquinoline-2,6-diamine.
What is the SMILES notation for 4-ethyl-3-methylquinoline-2,6-diamine?
The canonical SMILES for 4-ethyl-3-methylquinoline-2,6-diamine is CCc1c(C)c(N)nc2ccc(N)cc12.
What is the InChIKey of 4-ethyl-3-methylquinoline-2,6-diamine?
The InChIKey is BSTNVZWFILFKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-9-7(2)12(14)15-11-5-4-8(13)6-10(9)11/h4-6H,3,13H2,1-2H3,(H2,14,15).
What are the key properties of 4-ethyl-3-methylquinoline-2,6-diamine?
4-ethyl-3-methylquinoline-2,6-diamine has a molecular weight of 201.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylquinoline-2,6-diamine is sourced from PubChem (CID 22018922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).