1-(4-ethoxyphenyl)pent-3-ynylhydrazine

C13H18N2O — CID 105290586

IUPAC1-(4-ethoxyphenyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc(OCC)cc1
InChIInChI=1S/C13H18N2O/c1-3-5-6-13(15-14)11-7-9-12(10-8-11)16-4-2/h7-10,13,15H,4,6,14H2,1-2H3
InChIKeyDKFJSIGTZMPBPL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-ethoxyphenyl)pent-3-ynylhydrazine

1-(4-ethoxyphenyl)pent-3-ynylhydrazine (PubChem CID 105290586) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)pent-3-ynylhydrazine
PubChem CID105290586
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-ethoxyphenyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc(OCC)cc1
InChIInChI=1S/C13H18N2O/c1-3-5-6-13(15-14)11-7-9-12(10-8-11)16-4-2/h7-10,13,15H,4,6,14H2,1-2H3
InChIKeyDKFJSIGTZMPBPL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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-ethoxyphenyl)but-3-ynylhydrazine
CID 105281456
1-(4-bromophenyl)pent-3-ynylhydrazine
CID 105192351
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 62309984
[3-cyclohexyl-1-(4-ethoxyphenyl)propyl]hydrazine
CID 105300716
[1-(4-ethoxyphenyl)-4-ethylsulfonylbutyl]hydrazine
CID 105310823
[2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105327049
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
(1S)-1-(4-but-2-ynoxyphenyl)propan-1-amine
CID 63367698
1-(4-butoxyphenyl)pent-3-yn-1-ol
CID 105082482
N-but-2-ynyl-4-ethoxyaniline
CID 62312314

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)pent-3-ynylhydrazine?
The IUPAC name of 1-(4-ethoxyphenyl)pent-3-ynylhydrazine (CID 105290586) is 1-(4-ethoxyphenyl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(4-ethoxyphenyl)pent-3-ynylhydrazine is CC#CCC(NN)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)pent-3-ynylhydrazine?
The InChIKey is DKFJSIGTZMPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-6-13(15-14)11-7-9-12(10-8-11)16-4-2/h7-10,13,15H,4,6,14H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)pent-3-ynylhydrazine?
1-(4-ethoxyphenyl)pent-3-ynylhydrazine has a molecular weight of 218.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)pent-3-ynylhydrazine is sourced from PubChem (CID 105290586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).