1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine

C14H21BrN2 — CID 105279415

IUPAC1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H21BrN2/c1-4-5-6-7-13(17-16)12-8-10(2)14(15)11(3)9-12/h4,8-9,13,17H,1,5-7,16H2,2-3H3
InChIKeyNWFLJENXQANVMG-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine

1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine (PubChem CID 105279415) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
PubChem CID105279415
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H21BrN2/c1-4-5-6-7-13(17-16)12-8-10(2)14(15)11(3)9-12/h4,8-9,13,17H,1,5-7,16H2,2-3H3
InChIKeyNWFLJENXQANVMG-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.93
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine
CID 105311435
1-(4-chloro-3-methylphenyl)pent-4-enylhydrazine
CID 105311524
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
CID 105279490
1-(4-bromo-3-methylphenyl)hex-5-en-1-amine
CID 104987126
1-(3,4-diethoxyphenyl)hex-5-enylhydrazine
CID 105311210
1-(4-methyl-3-pyridinyl)hex-5-enylhydrazine
CID 105279755
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048
1-(3-methyl-4-pyridinyl)hex-5-enylhydrazine
CID 105261752
1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
CID 107541153

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine (CID 105279415) is 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine is C=CCCCC(NN)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine?
The InChIKey is NWFLJENXQANVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-4-5-6-7-13(17-16)12-8-10(2)14(15)11(3)9-12/h4,8-9,13,17H,1,5-7,16H2,2-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine?
1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine has a molecular weight of 297.24 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine is sourced from PubChem (CID 105279415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).