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

C16H24N2O2 — CID 107193810

IUPAC[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine
SMILESCC1CCCC1C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H24N2O2/c1-11-4-2-5-13(11)16(18-17)12-6-7-14-15(10-12)20-9-3-8-19-14/h6-7,10-11,13,16,18H,2-5,8-9,17H2,1H3
InChIKeyQDASXHYWWHMHNK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

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

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine (PubChem CID 107193810) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine
PubChem CID107193810
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine
SMILESCC1CCCC1C(NN)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H24N2O2/c1-11-4-2-5-13(11)16(18-17)12-6-7-14-15(10-12)20-9-3-8-19-14/h6-7,10-11,13,16,18H,2-5,8-9,17H2,1H3
InChIKeyQDASXHYWWHMHNK-UHFFFAOYSA-N
XLogP2.79
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
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

[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105301069
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
[2,3-dihydro-1,4-benzodioxin-6-yl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105312385
[(4-fluoro-3-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107193800
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethylcyclohexyl)methyl]hydrazine
CID 105232982
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105301064
N-[cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 43489563
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylcyclopentyl)methyl]hydrazine
CID 107193749
[furan-2-yl-(2-methylcyclopentyl)methyl]hydrazine
CID 107193917
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249499
[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-3-yl)methyl]hydrazine
CID 105229478
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476866

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine (CID 107193810) is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine is CC1CCCC1C(NN)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine?
The InChIKey is QDASXHYWWHMHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-2-5-13(11)16(18-17)12-6-7-14-15(10-12)20-9-3-8-19-14/h6-7,10-11,13,16,18H,2-5,8-9,17H2,1H3.
What are the key properties of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine?
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine has a molecular weight of 276.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methylcyclopentyl)methyl]hydrazine is sourced from PubChem (CID 107193810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).