N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine

C14H20N4S — CID 112664442

IUPACN-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1cc2ccccc2nc1NN
InChIInChI=1S/C14H20N4S/c1-18(7-8-19-2)10-12-9-11-5-3-4-6-13(11)16-14(12)17-15/h3-6,9H,7-8,10,15H2,1-2H3,(H,16,17)
InChIKeyBDJICHDCPGXGLI-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.32
Rot. Bonds6

About N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine

N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 112664442) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID112664442
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCSCCN(C)Cc1cc2ccccc2nc1NN
InChIInChI=1S/C14H20N4S/c1-18(7-8-19-2)10-12-9-11-5-3-4-6-13(11)16-14(12)17-15/h3-6,9H,7-8,10,15H2,1-2H3,(H,16,17)
InChIKeyBDJICHDCPGXGLI-UHFFFAOYSA-N
XLogP2.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine 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 N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine (CID 112664442) is N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine is CSCCN(C)Cc1cc2ccccc2nc1NN.
What is the InChIKey of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is BDJICHDCPGXGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18(7-8-19-2)10-12-9-11-5-3-4-6-13(11)16-14(12)17-15/h3-6,9H,7-8,10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine?
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 112664442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).