N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine

C16H24N4S — CID 115987394

IUPACN-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1cc2ccccc2nc1NN
InChIInChI=1S/C16H24N4S/c1-4-14(11-21-3)20(2)10-13-9-12-7-5-6-8-15(12)18-16(13)19-17/h5-9,14H,4,10-11,17H2,1-3H3,(H,18,19)
InChIKeyFKYGEBKRHAMTSY-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.09
Rot. Bonds7

About N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine

N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 115987394) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID115987394
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1cc2ccccc2nc1NN
InChIInChI=1S/C16H24N4S/c1-4-14(11-21-3)20(2)10-13-9-12-7-5-6-8-15(12)18-16(13)19-17/h5-9,14H,4,10-11,17H2,1-3H3,(H,18,19)
InChIKeyFKYGEBKRHAMTSY-UHFFFAOYSA-N
XLogP3.09
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.09
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'}

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Related Compounds

N-methyl-3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]quinolin-2-amine
CID 115987340
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664442
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methylpentan-1-amine
CID 62244445
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 62245580
N-[(2-hydrazinylquinolin-3-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62245538
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81063048
N-[(2-hydrazinylquinolin-3-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008100
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865938
N-(cyclopropylmethyl)-N-[(2-hydrazinylquinolin-3-yl)methyl]propan-2-amine
CID 62244404
2-[(2-hydrazinylquinolin-3-yl)methyl-methylamino]-N-methylacetamide
CID 62241968
2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]benzenecarbothioamide
CID 112659849

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 115987394) is N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)Cc1cc2ccccc2nc1NN.
What is the InChIKey of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is FKYGEBKRHAMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-14(11-21-3)20(2)10-13-9-12-7-5-6-8-15(12)18-16(13)19-17/h5-9,14H,4,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.09, 7 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-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115987394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).