[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine

C13H21BrN2S — CID 105299515

IUPAC[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
SMILESNNC(Cc1sccc1Br)CC1CCCCC1
InChIInChI=1S/C13H21BrN2S/c14-12-6-7-17-13(12)9-11(16-15)8-10-4-2-1-3-5-10/h6-7,10-11,16H,1-5,8-9,15H2
InChIKeySJGADKXTNZIESZ-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.86
Rot. Bonds5

About [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine

[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine (PubChem CID 105299515) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
PubChem CID105299515
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
SMILESNNC(Cc1sccc1Br)CC1CCCCC1
InChIInChI=1S/C13H21BrN2S/c14-12-6-7-17-13(12)9-11(16-15)8-10-4-2-1-3-5-10/h6-7,10-11,16H,1-5,8-9,15H2
InChIKeySJGADKXTNZIESZ-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.86
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-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267511
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
CID 105269766
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[1-(5-bromothiophen-2-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105295656
[1-(2-bromophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 105214950
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
[1-(4-bromothiophen-2-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105299335
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine (CID 105299515) is [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine is NNC(Cc1sccc1Br)CC1CCCCC1.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine?
The InChIKey is SJGADKXTNZIESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c14-12-6-7-17-13(12)9-11(16-15)8-10-4-2-1-3-5-10/h6-7,10-11,16H,1-5,8-9,15H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine has a molecular weight of 317.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine is sourced from PubChem (CID 105299515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).