4-N-ethyl-2-propylquinoline-4,6-diamine

C14H19N3 — CID 112655265

IUPAC4-N-ethyl-2-propylquinoline-4,6-diamine
SMILESCCCc1cc(NCC)c2cc(N)ccc2n1
InChIInChI=1S/C14H19N3/c1-3-5-11-9-14(16-4-2)12-8-10(15)6-7-13(12)17-11/h6-9H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyRPWWTKOXLIHZOR-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.20
Rot. Bonds4

About 4-N-ethyl-2-propylquinoline-4,6-diamine

4-N-ethyl-2-propylquinoline-4,6-diamine (PubChem CID 112655265) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-N-ethyl-2-propylquinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-propylquinoline-4,6-diamine
PubChem CID112655265
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-N-ethyl-2-propylquinoline-4,6-diamine
SMILESCCCc1cc(NCC)c2cc(N)ccc2n1
InChIInChI=1S/C14H19N3/c1-3-5-11-9-14(16-4-2)12-8-10(15)6-7-13(12)17-11/h6-9H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyRPWWTKOXLIHZOR-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.20
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-ethyl-2-propylquinoline-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-propylquinoline-4,6-diamine (CID 112655265) is 4-N-ethyl-2-propylquinoline-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-propylquinoline-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-propylquinoline-4,6-diamine is CCCc1cc(NCC)c2cc(N)ccc2n1.
What is the InChIKey of 4-N-ethyl-2-propylquinoline-4,6-diamine?
The InChIKey is RPWWTKOXLIHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-5-11-9-14(16-4-2)12-8-10(15)6-7-13(12)17-11/h6-9H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-ethyl-2-propylquinoline-4,6-diamine?
4-N-ethyl-2-propylquinoline-4,6-diamine has a molecular weight of 229.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-propylquinoline-4,6-diamine is sourced from PubChem (CID 112655265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).