[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

C16H26N2S — CID 105237204

IUPAC[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)C2CCC(C)CC2)c1
InChIInChI=1S/C16H26N2S/c1-12-6-8-14(9-7-12)16(18-17)11-19-15-5-3-4-13(2)10-15/h3-5,10,12,14,16,18H,6-9,11,17H2,1-2H3
InChIKeyNDVVGWHLUAWTLD-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.75
Rot. Bonds5

About [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 105237204) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
PubChem CID105237204
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)C2CCC(C)CC2)c1
InChIInChI=1S/C16H26N2S/c1-12-6-8-14(9-7-12)16(18-17)11-19-15-5-3-4-13(2)10-15/h3-5,10,12,14,16,18H,6-9,11,17H2,1-2H3
InChIKeyNDVVGWHLUAWTLD-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (CID 105237204) is [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is Cc1cccc(SCC(NN)C2CCC(C)CC2)c1.
What is the InChIKey of [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is NDVVGWHLUAWTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-6-8-14(9-7-12)16(18-17)11-19-15-5-3-4-13(2)10-15/h3-5,10,12,14,16,18H,6-9,11,17H2,1-2H3.
What are the key properties of [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine has a molecular weight of 278.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105237204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).