[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine

C13H19BrN2S — CID 105222665

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(CC1CC2CCC1C2)c1cc(Br)cs1
InChIInChI=1S/C13H19BrN2S/c14-11-6-13(17-7-11)12(16-15)5-10-4-8-1-2-9(10)3-8/h6-10,12,16H,1-5,15H2
InChIKeyFMPYOEHCIBUWMS-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.84
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine

[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105222665) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105222665
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(CC1CC2CCC1C2)c1cc(Br)cs1
InChIInChI=1S/C13H19BrN2S/c14-11-6-13(17-7-11)12(16-15)5-10-4-8-1-2-9(10)3-8/h6-10,12,16H,1-5,15H2
InChIKeyFMPYOEHCIBUWMS-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.84
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

[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970464
[1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethyl]hydrazine
CID 105323555
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105323574
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethylthiophen-2-yl)ethyl]hydrazine
CID 105323494
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethylphenyl)ethyl]hydrazine
CID 114027392
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethoxyphenyl)ethyl]hydrazine
CID 105323624
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79991546
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105342090
N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 107354397
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215533
[2-(2-bicyclo[2.2.1]heptanyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196324
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine (CID 105222665) is [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine is NNC(CC1CC2CCC1C2)c1cc(Br)cs1.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is FMPYOEHCIBUWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c14-11-6-13(17-7-11)12(16-15)5-10-4-8-1-2-9(10)3-8/h6-10,12,16H,1-5,15H2.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine?
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine has a molecular weight of 315.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105222665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).