[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine

C14H20N2O3S — CID 105249499

IUPAC[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCCO2)C1CSCCO1
InChIInChI=1S/C14H20N2O3S/c15-16-14(13-9-20-7-6-19-13)10-2-3-11-12(8-10)18-5-1-4-17-11/h2-3,8,13-14,16H,1,4-7,9,15H2
InChIKeyCNKODXGAKKSAKN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.48
Rot. Bonds3

About [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine (PubChem CID 105249499) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
PubChem CID105249499
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
SMILESNNC(c1ccc2c(c1)OCCCO2)C1CSCCO1
InChIInChI=1S/C14H20N2O3S/c15-16-14(13-9-20-7-6-19-13)10-2-3-11-12(8-10)18-5-1-4-17-11/h2-3,8,13-14,16H,1,4-7,9,15H2
InChIKeyCNKODXGAKKSAKN-UHFFFAOYSA-N
XLogP1.48
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249716
[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249537
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine
CID 107193810
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 102654255
[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylmorpholin-2-yl)methyl]hydrazine
CID 105247691
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105301064
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105301069
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxan-2-yl)methyl]ethanamine
CID 62215137
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165903
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215563
[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine
CID 105229478

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine (CID 105249499) is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine is NNC(c1ccc2c(c1)OCCCO2)C1CSCCO1.
What is the InChIKey of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine?
The InChIKey is CNKODXGAKKSAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-16-14(13-9-20-7-6-19-13)10-2-3-11-12(8-10)18-5-1-4-17-11/h2-3,8,13-14,16H,1,4-7,9,15H2.
What are the key properties of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine?
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine has a molecular weight of 296.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).