[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine

C17H28N2S — CID 105312196

IUPAC[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
SMILESCC1CC(C)CC(C(NN)C2CCCc3sccc32)C1
InChIInChI=1S/C17H28N2S/c1-11-8-12(2)10-13(9-11)17(19-18)15-4-3-5-16-14(15)6-7-20-16/h6-7,11-13,15,17,19H,3-5,8-10,18H2,1-2H3
InChIKeyMIVZNLQMCOHHEC-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.07
Rot. Bonds3

About [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine

[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine (PubChem CID 105312196) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
PubChem CID105312196
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
SMILESCC1CC(C)CC(C(NN)C2CCCc3sccc32)C1
InChIInChI=1S/C17H28N2S/c1-11-8-12(2)10-13(9-11)17(19-18)15-4-3-5-16-14(15)6-7-20-16/h6-7,11-13,15,17,19H,3-5,8-10,18H2,1-2H3
InChIKeyMIVZNLQMCOHHEC-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.07
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

[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341663
[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105322035
[4,5,6,7-tetrahydro-1-benzothiophen-4-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312899
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105283115
[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105308080
(1S)-1-[(4S)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-4-yl]ethanamine
CID 129016132
2-cyclopentyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanol
CID 105090371
3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-amine
CID 105083065
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
The IUPAC name of [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine (CID 105312196) is [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
The canonical SMILES for [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine is CC1CC(C)CC(C(NN)C2CCCc3sccc32)C1.
What is the InChIKey of [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
The InChIKey is MIVZNLQMCOHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-11-8-12(2)10-13(9-11)17(19-18)15-4-3-5-16-14(15)6-7-20-16/h6-7,11-13,15,17,19H,3-5,8-10,18H2,1-2H3.
What are the key properties of [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine?
[(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine has a molecular weight of 292.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethylcyclohexyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine is sourced from PubChem (CID 105312196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).