[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine

C16H26N2S — CID 105228166

IUPAC[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine
SMILESCC1CCC(C(CSc2ccccc2)NN)CC1C
InChIInChI=1S/C16H26N2S/c1-12-8-9-14(10-13(12)2)16(18-17)11-19-15-6-4-3-5-7-15/h3-7,12-14,16,18H,8-11,17H2,1-2H3
InChIKeyIPWREKHPCHAHPV-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.68
Rot. Bonds5

About [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine

[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine (PubChem CID 105228166) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine
PubChem CID105228166
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine
SMILESCC1CCC(C(CSc2ccccc2)NN)CC1C
InChIInChI=1S/C16H26N2S/c1-12-8-9-14(10-13(12)2)16(18-17)11-19-15-6-4-3-5-7-15/h3-7,12-14,16,18H,8-11,17H2,1-2H3
InChIKeyIPWREKHPCHAHPV-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

N-methyl-1-(4-methylcyclohexyl)-2-phenylsulfanylethanamine
CID 65143188
[1-(4-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237204
[2-cyclopropyl-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105254136
[1-(3,4-dimethylcyclohexyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212464
1-(3,4-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66070153
[2-(benzimidazol-1-yl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312332
[1-(3-ethylcyclohexyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236932
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
[1-(3,4-dimethylcyclohexyl)-3-methoxypropyl]hydrazine
CID 105206434
[1-(3,4-dimethylcyclohexyl)-3-(3-methylphenoxy)propyl]hydrazine
CID 105312494
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine
CID 107139592

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine?
The IUPAC name of [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine (CID 105228166) is [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine is CC1CCC(C(CSc2ccccc2)NN)CC1C.
What is the InChIKey of [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine?
The InChIKey is IPWREKHPCHAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-8-9-14(10-13(12)2)16(18-17)11-19-15-6-4-3-5-7-15/h3-7,12-14,16,18H,8-11,17H2,1-2H3.
What are the key properties of [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine?
[1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine has a molecular weight of 278.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylcyclohexyl)-2-phenylsulfanylethyl]hydrazine is sourced from PubChem (CID 105228166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).