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

C16H26N2O3 — CID 105271263

IUPAC[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine
SMILESCCCC(OCC)C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H26N2O3/c1-3-6-14(19-4-2)16(18-17)12-7-8-13-15(11-12)21-10-5-9-20-13/h7-8,11,14,16,18H,3-6,9-10,17H2,1-2H3
InChIKeyDLPFWIROWQNVKX-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.56
Rot. Bonds7

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

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine (PubChem CID 105271263) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine
PubChem CID105271263
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine
SMILESCCCC(OCC)C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H26N2O3/c1-3-6-14(19-4-2)16(18-17)12-7-8-13-15(11-12)21-10-5-9-20-13/h7-8,11,14,16,18H,3-6,9-10,17H2,1-2H3
InChIKeyDLPFWIROWQNVKX-UHFFFAOYSA-N
XLogP2.56
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.56
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)-2-ethoxypentan-1-ol
CID 116711365
[2-ethoxy-1-(4-ethylphenyl)pentyl]hydrazine
CID 105271510
[2-ethoxy-1-(4-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271540
ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylbutanoate
CID 62394868
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propylbutan-1-amine
CID 43495241
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105302957
[2-ethoxy-1-(3-propan-2-yloxyphenyl)pentyl]hydrazine
CID 105271449
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxybutan-1-amine
CID 116715045
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nonan-1-amine
CID 65447814
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,2-diethylbutan-1-amine
CID 43489566
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105143404
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine (CID 105271263) is [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine is CCCC(OCC)C(NN)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine?
The InChIKey is DLPFWIROWQNVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-6-14(19-4-2)16(18-17)12-7-8-13-15(11-12)21-10-5-9-20-13/h7-8,11,14,16,18H,3-6,9-10,17H2,1-2H3.
What are the key properties of [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine?
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ethoxypentyl]hydrazine has a molecular weight of 294.40 g/mol, XLogP of 2.56, 7 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-ethoxypentyl]hydrazine is sourced from PubChem (CID 105271263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).