[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine

C13H20N2O2 — CID 105230267

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
SMILESCCC(C)C(NN)C1COc2ccccc2O1
InChIInChI=1S/C13H20N2O2/c1-3-9(2)13(15-14)12-8-16-10-6-4-5-7-11(10)17-12/h4-7,9,12-13,15H,3,8,14H2,1-2H3
InChIKeyJYDAOJNJNHVGRI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds4

About [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine (PubChem CID 105230267) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
PubChem CID105230267
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
SMILESCCC(C)C(NN)C1COc2ccccc2O1
InChIInChI=1S/C13H20N2O2/c1-3-9(2)13(15-14)12-8-16-10-6-4-5-7-11(10)17-12/h4-7,9,12-13,15H,3,8,14H2,1-2H3
InChIKeyJYDAOJNJNHVGRI-UHFFFAOYSA-N
XLogP1.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
CID 107895095
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105230188
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbutyl]hydrazine
CID 105262585
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbutan-1-ol
CID 65351243
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
[cyclohexyl(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230206

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine (CID 105230267) is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine is CCC(C)C(NN)C1COc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine?
The InChIKey is JYDAOJNJNHVGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-9(2)13(15-14)12-8-16-10-6-4-5-7-11(10)17-12/h4-7,9,12-13,15H,3,8,14H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine has a molecular weight of 236.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine is sourced from PubChem (CID 105230267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).