1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine

C13H19ClN2 — CID 105311435

IUPAC1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1cc(Cl)ccc1C
InChIInChI=1S/C13H19ClN2/c1-3-4-5-6-13(16-15)12-9-11(14)8-7-10(12)2/h3,7-9,13,16H,1,4-6,15H2,2H3
InChIKeyICWDBPGAHOGBRG-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.51
Rot. Bonds6

About 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine

1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine (PubChem CID 105311435) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine
PubChem CID105311435
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine
SMILESC=CCCCC(NN)c1cc(Cl)ccc1C
InChIInChI=1S/C13H19ClN2/c1-3-4-5-6-13(16-15)12-9-11(14)8-7-10(12)2/h3,7-9,13,16H,1,4-6,15H2,2H3
InChIKeyICWDBPGAHOGBRG-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', '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'}

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Related Compounds

1-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
1-(5-chloro-2-methylphenyl)-N-ethylhex-5-en-1-amine
CID 104987125
1-(4-methyl-3-pyridinyl)hex-5-enylhydrazine
CID 105279755
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433
1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine
CID 105308015
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048
1-(3-methyl-4-pyridinyl)hex-5-enylhydrazine
CID 105261752
[1-(5-chloro-2-methylphenyl)-3-methylpentyl]hydrazine
CID 105298675
1-(4-bromo-3,5-dimethylphenyl)hex-5-enylhydrazine
CID 105279415
1-(2-bromo-3,4-difluorophenyl)hex-5-enylhydrazine
CID 107541153
1-(2,5-dichlorothiophen-3-yl)oct-7-enylhydrazine
CID 107970721
1-(2-fluoro-5-methylphenyl)pent-4-enylhydrazine
CID 105311474

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine (CID 105311435) is 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine is C=CCCCC(NN)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine?
The InChIKey is ICWDBPGAHOGBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-3-4-5-6-13(16-15)12-9-11(14)8-7-10(12)2/h3,7-9,13,16H,1,4-6,15H2,2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine?
1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine has a molecular weight of 238.76 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)hex-5-enylhydrazine is sourced from PubChem (CID 105311435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).