[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine

C15H24N2O3 — CID 105302957

IUPAC[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
SMILESCC(C)(C)OCC(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-10-12(17-16)11-5-6-13-14(9-11)19-8-4-7-18-13/h5-6,9,12,17H,4,7-8,10,16H2,1-3H3
InChIKeyXTVTZPADQYXFIP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.17
Rot. Bonds4

About [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine (PubChem CID 105302957) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
PubChem CID105302957
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
SMILESCC(C)(C)OCC(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-10-12(17-16)11-5-6-13-14(9-11)19-8-4-7-18-13/h5-6,9,12,17H,4,7-8,10,16H2,1-3H3
InChIKeyXTVTZPADQYXFIP-UHFFFAOYSA-N
XLogP2.17
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.17
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025276
[3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]hydrazine
CID 103151989
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,3,3-trimethylbutan-1-amine
CID 43482082
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103026386
[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 107562550
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,3-dimethylbutan-1-amine
CID 43197406
2-chloro-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116952587
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215563
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propan-2-ylamino)ethanol
CID 61048603
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine
CID 105271263
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212034
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105143343

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine (CID 105302957) is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine is CC(C)(C)OCC(NN)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The InChIKey is XTVTZPADQYXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-10-12(17-16)11-5-6-13-14(9-11)19-8-4-7-18-13/h5-6,9,12,17H,4,7-8,10,16H2,1-3H3.
What are the key properties of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine has a molecular weight of 280.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine is sourced from PubChem (CID 105302957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).