[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine

C14H23BrN2 — CID 105298115

IUPAC[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H23BrN2/c1-4-5-10(2)8-14(17-16)12-7-6-11(3)13(15)9-12/h6-7,9-10,14,17H,4-5,8,16H2,1-3H3
InChIKeyNXVYTQHETRQDHS-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.09
Rot. Bonds6

About [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine

[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine (PubChem CID 105298115) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
PubChem CID105298115
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H23BrN2/c1-4-5-10(2)8-14(17-16)12-7-6-11(3)13(15)9-12/h6-7,9-10,14,17H,4-5,8,16H2,1-3H3
InChIKeyNXVYTQHETRQDHS-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.09
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-fluorophenyl)-3-methylhexyl]hydrazine
CID 105264096
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
CID 105279490
[1-(3,4-difluorophenyl)-3-methylhexyl]hydrazine
CID 105197095
[1-(5-bromothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298248
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
[1-(3-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298243
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
CID 105298627
1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845717
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
[1-(furan-3-yl)-3-methylhexyl]hydrazine
CID 105221314
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
1-(4-bromo-3-fluorophenyl)-N,3-dimethylhexan-1-amine
CID 115845296

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine (CID 105298115) is [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine is CCCC(C)CC(NN)c1ccc(C)c(Br)c1.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine?
The InChIKey is NXVYTQHETRQDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-5-10(2)8-14(17-16)12-7-6-11(3)13(15)9-12/h6-7,9-10,14,17H,4-5,8,16H2,1-3H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine?
[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine has a molecular weight of 299.26 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine is sourced from PubChem (CID 105298115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).