[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine

C14H23BrN2 — CID 105299902

IUPAC[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
SMILESCc1cc(Br)ccc1C(CCC(C)(C)C)NN
InChIInChI=1S/C14H23BrN2/c1-10-9-11(15)5-6-12(10)13(17-16)7-8-14(2,3)4/h5-6,9,13,17H,7-8,16H2,1-4H3
InChIKeyULYNKBPNLPZZDO-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.09
Rot. Bonds4

About [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine

[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine (PubChem CID 105299902) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
PubChem CID105299902
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine
SMILESCc1cc(Br)ccc1C(CCC(C)(C)C)NN
InChIInChI=1S/C14H23BrN2/c1-10-9-11(15)5-6-12(10)13(17-16)7-8-14(2,3)4/h5-6,9,13,17H,7-8,16H2,1-4H3
InChIKeyULYNKBPNLPZZDO-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(2,4-dimethylphenyl)-4,4-dimethylpentyl]hydrazine
CID 105299952
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
[1-(4-bromo-2-methylphenyl)-3-ethylpentyl]hydrazine
CID 105330951
[1-(4-bromo-2-methylphenyl)-2-ethoxyethyl]hydrazine
CID 105321151
[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310534
[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321353
1-(5-bromo-2-methylphenyl)butylhydrazine
CID 105282216
[1-(5-bromo-4-methylthiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105300069
[1-(4-bromo-2-chlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313950
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
CID 103026706
[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331439

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine (CID 105299902) is [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine is Cc1cc(Br)ccc1C(CCC(C)(C)C)NN.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine?
The InChIKey is ULYNKBPNLPZZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-10-9-11(15)5-6-12(10)13(17-16)7-8-14(2,3)4/h5-6,9,13,17H,7-8,16H2,1-4H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine?
[1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine has a molecular weight of 299.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methylphenyl)-4,4-dimethylpentyl]hydrazine is sourced from PubChem (CID 105299902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).