[1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine

C16H22N2S — CID 105215109

IUPAC[1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine
SMILESCc1ccc(CC(CCc2cccs2)NN)cc1C
InChIInChI=1S/C16H22N2S/c1-12-5-6-14(10-13(12)2)11-15(18-17)7-8-16-4-3-9-19-16/h3-6,9-10,15,18H,7-8,11,17H2,1-2H3
InChIKeyITBOLLQBQVDQOP-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.37
Rot. Bonds6

About [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine

[1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine (PubChem CID 105215109) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine
PubChem CID105215109
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine
SMILESCc1ccc(CC(CCc2cccs2)NN)cc1C
InChIInChI=1S/C16H22N2S/c1-12-5-6-14(10-13(12)2)11-15(18-17)7-8-16-4-3-9-19-16/h3-6,9-10,15,18H,7-8,11,17H2,1-2H3
InChIKeyITBOLLQBQVDQOP-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
(1-pyridin-4-yl-5-thiophen-2-ylpentan-3-yl)hydrazine
CID 105308974
1-(3,4-dimethylphenyl)hept-6-en-2-ylhydrazine
CID 105215088
[1-(3,4-dimethylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207252
[1-(3-chloro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308904
[1-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105201470
[1-(furan-2-yl)-5-thiophen-2-ylpentan-3-yl]hydrazine
CID 105308828
[1-(2,5-dimethylpyrazol-3-yl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105315827
(1-butan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105227079
(6-methoxy-5-methyl-1-thiophen-2-ylhexan-3-yl)hydrazine
CID 105308985
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
(1-pyridin-3-yl-5-thiophen-2-ylpentan-2-yl)hydrazine
CID 105333745

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine (CID 105215109) is [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine is Cc1ccc(CC(CCc2cccs2)NN)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine?
The InChIKey is ITBOLLQBQVDQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-5-6-14(10-13(12)2)11-15(18-17)7-8-16-4-3-9-19-16/h3-6,9-10,15,18H,7-8,11,17H2,1-2H3.
What are the key properties of [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine?
[1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine has a molecular weight of 274.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-4-thiophen-2-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105215109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).