1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine

C13H17BrN2 — CID 105333345

IUPAC1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H17BrN2/c1-3-4-5-6-13(16-15)11-7-10(2)8-12(14)9-11/h1,7-9,13,16H,4-6,15H2,2H3
InChIKeyWTTQEAOFWUNNDD-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine

1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine (PubChem CID 105333345) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
PubChem CID105333345
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H17BrN2/c1-3-4-5-6-13(16-15)11-7-10(2)8-12(14)9-11/h1,7-9,13,16H,4-6,15H2,2H3
InChIKeyWTTQEAOFWUNNDD-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033647
1-(3-bromo-5-methylphenyl)pentylhydrazine
CID 105293715
1-(3,5-dibromophenyl)pentylhydrazine
CID 107978974
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
1-(3-chloro-5-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105034185
1-(3,5-dibromophenyl)heptylhydrazine
CID 107978976
1-(3-bromo-5-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 113374344
1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
CID 105266423
1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
CID 105333506
[1-(3,5-dibromophenyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 107978906
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289
1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
CID 105333477

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine (CID 105333345) is 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine is C#CCCCC(NN)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine?
The InChIKey is WTTQEAOFWUNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-3-4-5-6-13(16-15)11-7-10(2)8-12(14)9-11/h1,7-9,13,16H,4-6,15H2,2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine?
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine has a molecular weight of 281.20 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).