[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine

C14H24N2S — CID 105225778

IUPAC[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1c(C)cccc1C)NN
InChIInChI=1S/C14H24N2S/c1-4-8-17-10-13(16-15)9-14-11(2)6-5-7-12(14)3/h5-7,13,16H,4,8-10,15H2,1-3H3
InChIKeyKHLIKGWDYDVXMM-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.82
Rot. Bonds7

About [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine

[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225778) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
PubChem CID105225778
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1c(C)cccc1C)NN
InChIInChI=1S/C14H24N2S/c1-4-8-17-10-13(16-15)9-14-11(2)6-5-7-12(14)3/h5-7,13,16H,4,8-10,15H2,1-3H3
InChIKeyKHLIKGWDYDVXMM-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
1-(2,6-dimethylphenyl)hexan-2-ylhydrazine
CID 105245732
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
1-(2,6-dimethylphenyl)decan-2-ylhydrazine
CID 105329203
[1-(2,6-dimethylphenyl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105329160
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225595
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine (CID 105225778) is [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine is CCCSCC(Cc1c(C)cccc1C)NN.
What is the InChIKey of [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The InChIKey is KHLIKGWDYDVXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-8-17-10-13(16-15)9-14-11(2)6-5-7-12(14)3/h5-7,13,16H,4,8-10,15H2,1-3H3.
What are the key properties of [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
[1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine has a molecular weight of 252.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).