1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine

C13H19BrN2O — CID 105311425

IUPAC1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-6-12(16-15)11-8-7-10(14)9-13(11)17-2/h3,7-9,12,16H,1,4-6,15H2,2H3
InChIKeyMCVVMFCDWIQQNU-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.32
Rot. Bonds7

About 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine

1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine (PubChem CID 105311425) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
PubChem CID105311425
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1ccc(Br)cc1OC
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-6-12(16-15)11-8-7-10(14)9-13(11)17-2/h3,7-9,12,16H,1,4-6,15H2,2H3
InChIKeyMCVVMFCDWIQQNU-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
1-(2,4-dimethoxyphenyl)hex-5-enylhydrazine
CID 105311306
[1-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
1-(2,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012801
[1-(4-bromo-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105294311
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine (CID 105311425) is 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine is C=CCCCC(NN)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine?
The InChIKey is MCVVMFCDWIQQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-4-5-6-12(16-15)11-8-7-10(14)9-13(11)17-2/h3,7-9,12,16H,1,4-6,15H2,2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine?
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine has a molecular weight of 299.21 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine is sourced from PubChem (CID 105311425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).