[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine

C12H17IN2 — CID 105335995

IUPAC[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2/c1-9(2)3-8-12(15-14)10-4-6-11(13)7-5-10/h4-7,12,15H,1,3,8,14H2,2H3
InChIKeyMNFJALIQXUYNBJ-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.15
Rot. Bonds5

About [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine

[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105335995) has the molecular formula C12H17IN2 and a molecular weight of 316.19 g/mol. Its IUPAC name is [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105335995
Molecular FormulaC12H17IN2
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2/c1-9(2)3-8-12(15-14)10-4-6-11(13)7-5-10/h4-7,12,15H,1,3,8,14H2,2H3
InChIKeyMNFJALIQXUYNBJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848
1-(4-iodophenyl)octylhydrazine
CID 105293657
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
[1-(6-methoxypyridazin-3-yl)-4-methylpent-4-enyl]hydrazine
CID 103375492
[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
CID 105194172
(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
CID 130815078
[1-(5-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335800
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine (CID 105335995) is [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1ccc(I)cc1.
What is the InChIKey of [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is MNFJALIQXUYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2/c1-9(2)3-8-12(15-14)10-4-6-11(13)7-5-10/h4-7,12,15H,1,3,8,14H2,2H3.
What are the key properties of [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine?
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 316.19 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105335995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).