[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine

C12H19BrN2S — CID 105330730

IUPAC[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
SMILESNNC(c1csc(Br)c1)C1CCCCCC1
InChIInChI=1S/C12H19BrN2S/c13-11-7-10(8-16-11)12(15-14)9-5-3-1-2-4-6-9/h7-9,12,15H,1-6,14H2
InChIKeyORUWHFXAIAFEKT-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.99
Rot. Bonds3

About [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine

[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine (PubChem CID 105330730) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
PubChem CID105330730
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
SMILESNNC(c1csc(Br)c1)C1CCCCCC1
InChIInChI=1S/C12H19BrN2S/c13-11-7-10(8-16-11)12(15-14)9-5-3-1-2-4-6-9/h7-9,12,15H,1-6,14H2
InChIKeyORUWHFXAIAFEKT-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.99
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

[cycloheptyl-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105330732
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
(5-bromothiophen-3-yl)-cyclohexylmethanamine
CID 105079738
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325971
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
[(3-bromo-5-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105238562
1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
[(3-bromo-4-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105264024
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine?
The IUPAC name of [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine (CID 105330730) is [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine.
What is the SMILES notation for [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine?
The canonical SMILES for [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine is NNC(c1csc(Br)c1)C1CCCCCC1.
What is the InChIKey of [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine?
The InChIKey is ORUWHFXAIAFEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c13-11-7-10(8-16-11)12(15-14)9-5-3-1-2-4-6-9/h7-9,12,15H,1-6,14H2.
What are the key properties of [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine?
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine has a molecular weight of 303.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine is sourced from PubChem (CID 105330730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).