[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine

C12H16Cl2N2 — CID 105257099

IUPAC[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2/c1-8(2)3-6-12(16-15)9-4-5-10(13)11(14)7-9/h4-5,7,12,16H,1,3,6,15H2,2H3
InChIKeyCDHUVXHGLVTFNO-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.85
Rot. Bonds5

About [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine

[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105257099) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105257099
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2/c1-8(2)3-6-12(16-15)9-4-5-10(13)11(14)7-9/h4-5,7,12,16H,1,3,6,15H2,2H3
InChIKeyCDHUVXHGLVTFNO-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
CID 105335995
3-(3,4-dichlorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259260
[1-(3,4-dichlorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026283
1-(3-bromo-4-chlorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114475733
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
[1-(6-methoxypyridazin-3-yl)-4-methylpent-4-enyl]hydrazine
CID 103375492
[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105223337

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine (CID 105257099) is [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is CDHUVXHGLVTFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-8(2)3-6-12(16-15)9-4-5-10(13)11(14)7-9/h4-5,7,12,16H,1,3,6,15H2,2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine?
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 259.18 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105257099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).