[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

C15H21IN2O — CID 105322205

IUPAC[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESNNC(c1ccccc1I)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H21IN2O/c16-13-5-2-1-4-12(13)14(18-17)11-6-9-19-15(10-11)7-3-8-15/h1-2,4-5,11,14,18H,3,6-10,17H2
InChIKeyVQIVZBVOWPGCIR-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.14
Rot. Bonds3

About [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (PubChem CID 105322205) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
PubChem CID105322205
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESNNC(c1ccccc1I)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H21IN2O/c16-13-5-2-1-4-12(13)14(18-17)11-6-9-19-15(10-11)7-3-8-15/h1-2,4-5,11,14,18H,3,6-10,17H2
InChIKeyVQIVZBVOWPGCIR-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
CID 105223968
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 103217634
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
[(4-bromo-2-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105281074
[(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105219487
[1-oxaspiro[5.5]undecan-4-yl(thiophen-2-yl)methyl]hydrazine
CID 105193759

Frequently Asked Questions

What is the IUPAC name of [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The IUPAC name of [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (CID 105322205) is [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.
What is the SMILES notation for [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The canonical SMILES for [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is NNC(c1ccccc1I)C1CCOC2(CCC2)C1.
What is the InChIKey of [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The InChIKey is VQIVZBVOWPGCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c16-13-5-2-1-4-12(13)14(18-17)11-6-9-19-15(10-11)7-3-8-15/h1-2,4-5,11,14,18H,3,6-10,17H2.
What are the key properties of [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine has a molecular weight of 372.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is sourced from PubChem (CID 105322205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).