2-tert-butyl-4-N-methylquinoline-4,6-diamine

C14H19N3 — CID 112655262

IUPAC2-tert-butyl-4-N-methylquinoline-4,6-diamine
SMILESCNc1cc(C(C)(C)C)nc2ccc(N)cc12
InChIInChI=1S/C14H19N3/c1-14(2,3)13-8-12(16-4)10-7-9(15)5-6-11(10)17-13/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeySRRGNYJKDXZFTI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.16
Rot. Bonds1

About 2-tert-butyl-4-N-methylquinoline-4,6-diamine

2-tert-butyl-4-N-methylquinoline-4,6-diamine (PubChem CID 112655262) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-tert-butyl-4-N-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-methylquinoline-4,6-diamine
PubChem CID112655262
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-tert-butyl-4-N-methylquinoline-4,6-diamine
SMILESCNc1cc(C(C)(C)C)nc2ccc(N)cc12
InChIInChI=1S/C14H19N3/c1-14(2,3)13-8-12(16-4)10-7-9(15)5-6-11(10)17-13/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeySRRGNYJKDXZFTI-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-4-N-methylquinoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-methylquinoline-4,6-diamine (CID 112655262) is 2-tert-butyl-4-N-methylquinoline-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-methylquinoline-4,6-diamine is CNc1cc(C(C)(C)C)nc2ccc(N)cc12.
What is the InChIKey of 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
The InChIKey is SRRGNYJKDXZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)13-8-12(16-4)10-7-9(15)5-6-11(10)17-13/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-tert-butyl-4-N-methylquinoline-4,6-diamine?
2-tert-butyl-4-N-methylquinoline-4,6-diamine has a molecular weight of 229.33 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-methylquinoline-4,6-diamine is sourced from PubChem (CID 112655262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).