1-(4-methylphenyl)pent-4-yn-2-ylhydrazine

C12H16N2 — CID 105211357

IUPAC1-(4-methylphenyl)pent-4-yn-2-ylhydrazine
SMILESC#CCC(Cc1ccc(C)cc1)NN
InChIInChI=1S/C12H16N2/c1-3-4-12(14-13)9-11-7-5-10(2)6-8-11/h1,5-8,12,14H,4,9,13H2,2H3
InChIKeyHLUXCUPNNLEFKB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.39
Rot. Bonds4

About 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine

1-(4-methylphenyl)pent-4-yn-2-ylhydrazine (PubChem CID 105211357) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-methylphenyl)pent-4-yn-2-ylhydrazine
PubChem CID105211357
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(4-methylphenyl)pent-4-yn-2-ylhydrazine
SMILESC#CCC(Cc1ccc(C)cc1)NN
InChIInChI=1S/C12H16N2/c1-3-4-12(14-13)9-11-7-5-10(2)6-8-11/h1,5-8,12,14H,4,9,13H2,2H3
InChIKeyHLUXCUPNNLEFKB-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N,N-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 105244842
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248
1-(4-chlorophenyl)-N-methylpent-4-yn-2-amine
CID 62235146
[6,6,6-trifluoro-1-(4-methylphenyl)hexan-2-yl]hydrazine
CID 105211311
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
[1-(1-methylcyclopropyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105253480
[1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198260
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
CID 114977590

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine?
The IUPAC name of 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine (CID 105211357) is 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine?
The canonical SMILES for 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine is C#CCC(Cc1ccc(C)cc1)NN.
What is the InChIKey of 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine?
The InChIKey is HLUXCUPNNLEFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-4-12(14-13)9-11-7-5-10(2)6-8-11/h1,5-8,12,14H,4,9,13H2,2H3.
What are the key properties of 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine?
1-(4-methylphenyl)pent-4-yn-2-ylhydrazine has a molecular weight of 188.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)pent-4-yn-2-ylhydrazine is sourced from PubChem (CID 105211357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).