[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine

C12H17ClN2 — CID 105319456

IUPAC[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1cc(C)cc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-8(2)4-12(15-14)10-5-9(3)6-11(13)7-10/h5-7,12,15H,1,4,14H2,2-3H3
InChIKeyZFAGQEQGSGPXRP-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.12
Rot. Bonds4

About [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine

[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105319456) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine
PubChem CID105319456
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1cc(C)cc(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-8(2)4-12(15-14)10-5-9(3)6-11(13)7-10/h5-7,12,15H,1,4,14H2,2-3H3
InChIKeyZFAGQEQGSGPXRP-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.12
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-chloro-5-methylphenyl)-3-methylbutyl]hydrazine
CID 105282675
[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
CID 105194172
[3-methyl-1-(5-methylfuran-3-yl)but-3-enyl]hydrazine
CID 105319592
[1-(3-chloro-5-methylphenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297214
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
[1-(3-chloro-5-methylphenyl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296773
1-(3,5-dichlorophenyl)-3-methylbut-3-en-1-ol
CID 115816915
[1-(3-fluoro-5-methylphenyl)-3-methylidenepentyl]hydrazine
CID 105257527
(1S)-1-(3,5-dichlorophenyl)-3-methylbut-3-en-1-amine
CID 130817353
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
CID 131096191

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine (CID 105319456) is [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)c1cc(C)cc(Cl)c1.
What is the InChIKey of [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is ZFAGQEQGSGPXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(2)4-12(15-14)10-5-9(3)6-11(13)7-10/h5-7,12,15H,1,4,14H2,2-3H3.
What are the key properties of [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine?
[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 224.73 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105319456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).