[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine

C13H19BrN2S — CID 105295777

IUPAC[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)s1)C1C2CCCCC21
InChIInChI=1S/C13H19BrN2S/c14-12-6-5-8(17-12)7-11(16-15)13-9-3-1-2-4-10(9)13/h5-6,9-11,13,16H,1-4,7,15H2
InChIKeyLQPVTGBYYXZYPP-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.32
Rot. Bonds4

About [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine

[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105295777) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105295777
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC Name[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Br)s1)C1C2CCCCC21
InChIInChI=1S/C13H19BrN2S/c14-12-6-5-8(17-12)7-11(16-15)13-9-3-1-2-4-10(9)13/h5-6,9-11,13,16H,1-4,7,15H2
InChIKeyLQPVTGBYYXZYPP-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-(5-bromothiophen-2-yl)-1-cyclopropylethyl]hydrazine
CID 105202339
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105296014
[2-(5-bromothiophen-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105295808
[1-(5-bromothiophen-2-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105295656
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[2-(5-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233392
[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]hydrazine
CID 105295651
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105284285
2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene
CID 112570449
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine (CID 105295777) is [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Br)s1)C1C2CCCCC21.
What is the InChIKey of [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is LQPVTGBYYXZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c14-12-6-5-8(17-12)7-11(16-15)13-9-3-1-2-4-10(9)13/h5-6,9-11,13,16H,1-4,7,15H2.
What are the key properties of [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine?
[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine has a molecular weight of 315.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105295777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).