[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine

C13H22N2S — CID 105329160

IUPAC[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(Cc1c(C)cccc1C)NN
InChIInChI=1S/C13H22N2S/c1-10-5-4-6-11(2)13(10)9-12(15-14)7-8-16-3/h4-6,12,15H,7-9,14H2,1-3H3
InChIKeyOQYNNMRNKWRPAN-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.43
Rot. Bonds6

About [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine

[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine (PubChem CID 105329160) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine
PubChem CID105329160
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(Cc1c(C)cccc1C)NN
InChIInChI=1S/C13H22N2S/c1-10-5-4-6-11(2)13(10)9-12(15-14)7-8-16-3/h4-6,12,15H,7-9,14H2,1-3H3
InChIKeyOQYNNMRNKWRPAN-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.43
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-(2,6-dimethylphenyl)hexan-2-ylhydrazine
CID 105245732
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
1-(2,6-dimethylphenyl)decan-2-ylhydrazine
CID 105329203
[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225778
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
[1-cyclobutyl-3-(2,6-dimethylphenyl)propan-2-yl]hydrazine
CID 103170732
[1-(2,6-dimethylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214705
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105330380
[1-(5-bromothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295733
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635
[1-(2,6-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170731

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine (CID 105329160) is [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine is CSCCC(Cc1c(C)cccc1C)NN.
What is the InChIKey of [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
The InChIKey is OQYNNMRNKWRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-4-6-11(2)13(10)9-12(15-14)7-8-16-3/h4-6,12,15H,7-9,14H2,1-3H3.
What are the key properties of [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine has a molecular weight of 238.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105329160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).