1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine

C13H18N2O — CID 105258378

IUPAC1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H18N2O/c1-4-5-6-12(15-14)11-7-8-13(16-3)10(2)9-11/h1,7-9,12,15H,5-6,14H2,2-3H3
InChIKeyOAJHNKQSDGVVCA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.92
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine

1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine (PubChem CID 105258378) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine
PubChem CID105258378
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H18N2O/c1-4-5-6-12(15-14)11-7-8-13(16-3)10(2)9-11/h1,7-9,12,15H,5-6,14H2,2-3H3
InChIKeyOAJHNKQSDGVVCA-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(4-methoxy-3-methylphenyl)pent-4-yn-1-ol
CID 63893974
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
CID 113374381
[1-(4-methoxy-3-methylphenyl)-2-propoxyethyl]hydrazine
CID 105258293
[1-(3-methoxy-4-methylphenyl)-4-methylpentyl]hydrazine
CID 105294130
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
[1-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
[2-(2-chloro-5-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 102623414
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine (CID 105258378) is 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine is C#CCCC(NN)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine?
The InChIKey is OAJHNKQSDGVVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-5-6-12(15-14)11-7-8-13(16-3)10(2)9-11/h1,7-9,12,15H,5-6,14H2,2-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine?
1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine has a molecular weight of 218.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)pent-4-ynylhydrazine is sourced from PubChem (CID 105258378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).