1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine

C13H20N2O — CID 105269810

IUPAC1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-4-5-13(15-14)11-6-8-12(9-7-11)16-10(2)3/h4,6-10,13,15H,1,5,14H2,2-3H3
InChIKeyAUBRDJRFIWNLGF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine

1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine (PubChem CID 105269810) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine
PubChem CID105269810
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine
SMILESC=CCC(NN)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-4-5-13(15-14)11-6-8-12(9-7-11)16-10(2)3/h4,6-10,13,15H,1,5,14H2,2-3H3
InChIKeyAUBRDJRFIWNLGF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
(1S)-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine;hydrochloride
CID 171230366
[3-methoxy-1-(4-propan-2-yloxyphenyl)butyl]hydrazine
CID 105267222
1-phenylbut-3-enylhydrazine
CID 105199312
1-(4-propan-2-yloxyphenyl)nonylhydrazine
CID 105304165
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-(2-fluoro-4-methoxyphenyl)but-3-enylhydrazine
CID 105256934
1-(3,5-dibromophenyl)but-3-enylhydrazine
CID 107978932
1-(3,5-difluorophenyl)but-3-enylhydrazine
CID 105207895

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine (CID 105269810) is 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine is C=CCC(NN)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine?
The InChIKey is AUBRDJRFIWNLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-13(15-14)11-6-8-12(9-7-11)16-10(2)3/h4,6-10,13,15H,1,5,14H2,2-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine?
1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine has a molecular weight of 220.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine is sourced from PubChem (CID 105269810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).