1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine

C13H20N2O2 — CID 105293760

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
SMILESCCCCC(NN)c1cccc2c1OCCO2
InChIInChI=1S/C13H20N2O2/c1-2-3-6-11(15-14)10-5-4-7-12-13(10)17-9-8-16-12/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3
InChIKeyNDNRVIOUZSQGGO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine (PubChem CID 105293760) 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-5-yl)pentylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
PubChem CID105293760
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine
SMILESCCCCC(NN)c1cccc2c1OCCO2
InChIInChI=1S/C13H20N2O2/c1-2-3-6-11(15-14)10-5-4-7-12-13(10)17-9-8-16-12/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3
InChIKeyNDNRVIOUZSQGGO-UHFFFAOYSA-N
XLogP2.15
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
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-5-yl)-3-methylidenepentyl]hydrazine
CID 105320330
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310293
(3S)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(ethylamino)propan-1-ol
CID 97177429
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322925
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316501
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N,2-dimethylpentan-1-amine
CID 107894239
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 114984068
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine (CID 105293760) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine is CCCCC(NN)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine?
The InChIKey is NDNRVIOUZSQGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-6-11(15-14)10-5-4-7-12-13(10)17-9-8-16-12/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)pentylhydrazine has a molecular weight of 236.31 g/mol, XLogP of 2.15, 5 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-5-yl)pentylhydrazine is sourced from PubChem (CID 105293760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).