[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine

C14H22N2O3 — CID 103025276

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H22N2O3/c1-14(2,17-3)9-11(16-15)10-4-5-12-13(8-10)19-7-6-18-12/h4-5,8,11,16H,6-7,9,15H2,1-3H3
InChIKeyKEDIWWLFAWJXBQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds5

About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025276) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025276
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H22N2O3/c1-14(2,17-3)9-11(16-15)10-4-5-12-13(8-10)19-7-6-18-12/h4-5,8,11,16H,6-7,9,15H2,1-3H3
InChIKeyKEDIWWLFAWJXBQ-UHFFFAOYSA-N
XLogP1.78
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103026386
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105302957
(3-methoxy-3-methyl-1-phenylbutyl)hydrazine
CID 103025167
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propylsulfanylethyl]hydrazine
CID 105225854
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutane-1,3-diamine
CID 116933523
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,3,3-trimethylbutan-1-amine
CID 43482082
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43689410
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211958
[1-(3,5-difluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025282
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266193
[2-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydrazine
CID 105215012

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025276) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine is COC(C)(C)CC(NN)c1ccc2c(c1)OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is KEDIWWLFAWJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,17-3)9-11(16-15)10-4-5-12-13(8-10)19-7-6-18-12/h4-5,8,11,16H,6-7,9,15H2,1-3H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 266.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).