[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine

C13H19ClN2 — CID 105335848

IUPAC[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(Cl)c(C)c1
InChIInChI=1S/C13H19ClN2/c1-9(2)4-7-13(16-15)11-5-6-12(14)10(3)8-11/h5-6,8,13,16H,1,4,7,15H2,2-3H3
InChIKeyFAHNNJCZXDTVRH-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.51
Rot. Bonds5

About [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine

[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105335848) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105335848
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1ccc(Cl)c(C)c1
InChIInChI=1S/C13H19ClN2/c1-9(2)4-7-13(16-15)11-5-6-12(14)10(3)8-11/h5-6,8,13,16H,1,4,7,15H2,2-3H3
InChIKeyFAHNNJCZXDTVRH-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.51
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-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
1-(4-chloro-3-methylphenyl)pent-4-enylhydrazine
CID 105311524
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
CID 105335995
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
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
[1-(4-chloro-3-methylphenyl)-2-cyclopropylethyl]hydrazine
CID 105311042
[1-(3-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105223337
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
[1-(5-chloro-2-fluorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105280086
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine (CID 105335848) is [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)c1ccc(Cl)c(C)c1.
What is the InChIKey of [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is FAHNNJCZXDTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9(2)4-7-13(16-15)11-5-6-12(14)10(3)8-11/h5-6,8,13,16H,1,4,7,15H2,2-3H3.
What are the key properties of [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine?
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 238.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105335848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).