1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine

C12H17BrN2 — CID 105311522

IUPAC1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ccc(C)cc1Br
InChIInChI=1S/C12H17BrN2/c1-3-4-5-12(15-14)10-7-6-9(2)8-11(10)13/h3,6-8,12,15H,1,4-5,14H2,2H3
InChIKeyYZARRPMDQHAEAX-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.23
Rot. Bonds5

About 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine

1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine (PubChem CID 105311522) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
PubChem CID105311522
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ccc(C)cc1Br
InChIInChI=1S/C12H17BrN2/c1-3-4-5-12(15-14)10-7-6-9(2)8-11(10)13/h3,6-8,12,15H,1,4-5,14H2,2H3
InChIKeyYZARRPMDQHAEAX-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474
[1-(2-bromo-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331264
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
[1-(2-bromo-4-methylphenyl)-2-cyclopentylethyl]hydrazine
CID 105299035
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433
[1-(2-bromo-4-methylphenyl)-2-(4-bromophenyl)ethyl]hydrazine
CID 105284383
1-(2-bromo-5-methylphenyl)pent-4-en-1-amine
CID 104987802
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(2,4,6-trimethylphenyl)pent-4-enylhydrazine
CID 105311566
[1-(2-bromo-4-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321406

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine (CID 105311522) is 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine is C=CCCC(NN)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine?
The InChIKey is YZARRPMDQHAEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-3-4-5-12(15-14)10-7-6-9(2)8-11(10)13/h3,6-8,12,15H,1,4-5,14H2,2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine?
1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine has a molecular weight of 269.19 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)pent-4-enylhydrazine is sourced from PubChem (CID 105311522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).