[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine

C15H25BrN2 — CID 105279490

IUPAC[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H25BrN2/c1-5-6-10(2)7-14(18-17)13-8-11(3)15(16)12(4)9-13/h8-10,14,18H,5-7,17H2,1-4H3
InChIKeyWXZOKZLYQYFOTN-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.40
Rot. Bonds6

About [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine

[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine (PubChem CID 105279490) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
PubChem CID105279490
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H25BrN2/c1-5-6-10(2)7-14(18-17)13-8-11(3)15(16)12(4)9-13/h8-10,14,18H,5-7,17H2,1-4H3
InChIKeyWXZOKZLYQYFOTN-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
CID 105298115
[1-(5-bromothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298248
[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
CID 105264096
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
[1-(3,4-difluorophenyl)-3-methylhexyl]hydrazine
CID 105197095
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659
[1-(furan-3-yl)-3-methylhexyl]hydrazine
CID 105221314
1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
CID 105279415
[1-(3-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298243
[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298218
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine?
The IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine (CID 105279490) is [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine is CCCC(C)CC(NN)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine?
The InChIKey is WXZOKZLYQYFOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-6-10(2)7-14(18-17)13-8-11(3)15(16)12(4)9-13/h8-10,14,18H,5-7,17H2,1-4H3.
What are the key properties of [1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine?
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine has a molecular weight of 313.28 g/mol, XLogP of 4.40, 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)-3-methylhexyl]hydrazine is sourced from PubChem (CID 105279490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).