1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine

C14H19N3 — CID 66835446

IUPAC1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
SMILESCc1cc(NNC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-10-9-13(16-17-14(2,3)4)11-7-5-6-8-12(11)15-10/h5-9,17H,1-4H3,(H,15,16)
InChIKeyIJVLQYOYXZACQZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.26
Rot. Bonds2

About 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine

1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine (PubChem CID 66835446) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
PubChem CID66835446
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
SMILESCc1cc(NNC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-10-9-13(16-17-14(2,3)4)11-7-5-6-8-12(11)15-10/h5-9,17H,1-4H3,(H,15,16)
InChIKeyIJVLQYOYXZACQZ-UHFFFAOYSA-N
XLogP3.26
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine 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 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine?
The IUPAC name of 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine (CID 66835446) is 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine.
What is the SMILES notation for 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine?
The canonical SMILES for 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine is Cc1cc(NNC(C)(C)C)c2ccccc2n1.
What is the InChIKey of 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine?
The InChIKey is IJVLQYOYXZACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-9-13(16-17-14(2,3)4)11-7-5-6-8-12(11)15-10/h5-9,17H,1-4H3,(H,15,16).
What are the key properties of 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine?
1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine has a molecular weight of 229.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine is sourced from PubChem (CID 66835446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).