1-(2-ethoxyphenyl)hex-4-ynylhydrazine

C14H20N2O — CID 105260784

IUPAC1-(2-ethoxyphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccccc1OCC
InChIInChI=1S/C14H20N2O/c1-3-5-6-10-13(16-15)12-9-7-8-11-14(12)17-4-2/h7-9,11,13,16H,4,6,10,15H2,1-2H3
InChIKeyJVAJKXUUJYDEMA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.39
Rot. Bonds6

About 1-(2-ethoxyphenyl)hex-4-ynylhydrazine

1-(2-ethoxyphenyl)hex-4-ynylhydrazine (PubChem CID 105260784) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)hex-4-ynylhydrazine
PubChem CID105260784
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-ethoxyphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccccc1OCC
InChIInChI=1S/C14H20N2O/c1-3-5-6-10-13(16-15)12-9-7-8-11-14(12)17-4-2/h7-9,11,13,16H,4,6,10,15H2,1-2H3
InChIKeyJVAJKXUUJYDEMA-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.39
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-(2-methoxyphenyl)hex-4-ynylhydrazine
CID 105191206
[3-cyclopropyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105260782
[1-(2-ethoxyphenyl)-4-methoxypentyl]hydrazine
CID 105304415
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395
[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190770
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
[1-(2-ethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105304469
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
[1-(2-ethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198197
1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
CID 105335067
[2-(2,6-dimethylphenyl)-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105260772

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2-ethoxyphenyl)hex-4-ynylhydrazine (CID 105260784) is 1-(2-ethoxyphenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2-ethoxyphenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)hex-4-ynylhydrazine?
The InChIKey is JVAJKXUUJYDEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-5-6-10-13(16-15)12-9-7-8-11-14(12)17-4-2/h7-9,11,13,16H,4,6,10,15H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)hex-4-ynylhydrazine?
1-(2-ethoxyphenyl)hex-4-ynylhydrazine has a molecular weight of 232.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105260784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).