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

C13H21BrN2S — CID 105327876

IUPAC[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
SMILESNNC(CCC1CCCCC1)c1sccc1Br
InChIInChI=1S/C13H21BrN2S/c14-11-8-9-17-13(11)12(16-15)7-6-10-4-2-1-3-5-10/h8-10,12,16H,1-7,15H2
InChIKeyDEHGQNYWEHVRDW-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.38
Rot. Bonds5

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

[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine (PubChem CID 105327876) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
PubChem CID105327876
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
SMILESNNC(CCC1CCCCC1)c1sccc1Br
InChIInChI=1S/C13H21BrN2S/c14-11-8-9-17-13(11)12(16-15)7-6-10-4-2-1-3-5-10/h8-10,12,16H,1-7,15H2
InChIKeyDEHGQNYWEHVRDW-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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'}

Analyze [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
[3-cyclohexyl-1-(2,4-dibromophenyl)propyl]hydrazine
CID 114193446
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
2-(1-bromo-3-cyclohexylpropyl)-3-chlorothiophene
CID 80531920
[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105327972

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine (CID 105327876) is [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine is NNC(CCC1CCCCC1)c1sccc1Br.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine?
The InChIKey is DEHGQNYWEHVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c14-11-8-9-17-13(11)12(16-15)7-6-10-4-2-1-3-5-10/h8-10,12,16H,1-7,15H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine has a molecular weight of 317.30 g/mol, XLogP of 4.38, 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-cyclohexylpropyl]hydrazine is sourced from PubChem (CID 105327876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).