[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine

C13H20N2O — CID 105192051

IUPAC[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1cccc(OCC)c1
InChIInChI=1S/C13H20N2O/c1-4-16-12-7-5-6-11(9-12)13(15-14)8-10(2)3/h5-7,9,13,15H,2,4,8,14H2,1,3H3
InChIKeyHJZOYCSPSXYXEG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds6

About [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine

[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105192051) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
PubChem CID105192051
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1cccc(OCC)c1
InChIInChI=1S/C13H20N2O/c1-4-16-12-7-5-6-11(9-12)13(15-14)8-10(2)3/h5-7,9,13,15H,2,4,8,14H2,1,3H3
InChIKeyHJZOYCSPSXYXEG-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105225968
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
[1-(3-ethoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105191999
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
[1-(3-ethoxyphenyl)-3-phenoxypropyl]hydrazine
CID 105191343
[1-(3-ethoxyphenyl)-2-methylsulfonylethyl]hydrazine
CID 105328109
[1-(3-ethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105191961
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
[2-(4-bromophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105192046
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
[1-(3-ethoxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105328014

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine (CID 105192051) is [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)c1cccc(OCC)c1.
What is the InChIKey of [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is HJZOYCSPSXYXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-16-12-7-5-6-11(9-12)13(15-14)8-10(2)3/h5-7,9,13,15H,2,4,8,14H2,1,3H3.
What are the key properties of [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine?
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 220.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105192051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).