[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine

C14H22N2 — CID 105194172

IUPAC[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2/c1-10(2)9-14(16-15)13-7-5-12(6-8-13)11(3)4/h5-8,11,14,16H,1,9,15H2,2-4H3
InChIKeyQPJJOUXMQZHYAF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.28
Rot. Bonds5

About [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine

[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine (PubChem CID 105194172) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
PubChem CID105194172
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H22N2/c1-10(2)9-14(16-15)13-7-5-12(6-8-13)11(3)4/h5-8,11,14,16H,1,9,15H2,2-4H3
InChIKeyQPJJOUXMQZHYAF-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.28
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

(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
[1-(furan-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105221417
[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine
CID 105319456
[3-methyl-1-(5-methylfuran-3-yl)but-3-enyl]hydrazine
CID 105319592
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
CID 105335995
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
[4-phenyl-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193992

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine (CID 105194172) is [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine is C=C(C)CC(NN)c1ccc(C(C)C)cc1.
What is the InChIKey of [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine?
The InChIKey is QPJJOUXMQZHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)9-14(16-15)13-7-5-12(6-8-13)11(3)4/h5-8,11,14,16H,1,9,15H2,2-4H3.
What are the key properties of [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine?
[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine has a molecular weight of 218.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine is sourced from PubChem (CID 105194172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).