4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline

C12H18BrN3 — CID 105263475

IUPAC4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
SMILESC=C(C)CCC(NN)c1cc(Br)ccc1N
InChIInChI=1S/C12H18BrN3/c1-8(2)3-6-12(16-15)10-7-9(13)4-5-11(10)14/h4-5,7,12,16H,1,3,6,14-15H2,2H3
InChIKeyNHIPYCGERUHHQG-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.89
Rot. Bonds5

About 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline

4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline (PubChem CID 105263475) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
PubChem CID105263475
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
SMILESC=C(C)CCC(NN)c1cc(Br)ccc1N
InChIInChI=1S/C12H18BrN3/c1-8(2)3-6-12(16-15)10-7-9(13)4-5-11(10)14/h4-5,7,12,16H,1,3,6,14-15H2,2H3
InChIKeyNHIPYCGERUHHQG-UHFFFAOYSA-N
XLogP2.89
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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'}

Analyze 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
CID 114474018
[1-(4-bromo-2-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105336009
4-bromo-2-(1-hydrazinyloctyl)aniline
CID 105263445
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
4-bromo-2-[2-(5-fluoro-2-methylphenyl)-1-hydrazinylethyl]aniline
CID 105377915
4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263598
4-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline?
The IUPAC name of 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline (CID 105263475) is 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline.
What is the SMILES notation for 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline?
The canonical SMILES for 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline is C=C(C)CCC(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline?
The InChIKey is NHIPYCGERUHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8(2)3-6-12(16-15)10-7-9(13)4-5-11(10)14/h4-5,7,12,16H,1,3,6,14-15H2,2H3.
What are the key properties of 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline?
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline has a molecular weight of 284.20 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline is sourced from PubChem (CID 105263475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).