[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

C15H20ClIN2O — CID 103217634

IUPAC[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESNNC(c1ccc(I)c(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20ClIN2O/c16-12-8-10(2-3-13(12)17)14(19-18)11-4-7-20-15(9-11)5-1-6-15/h2-3,8,11,14,19H,1,4-7,9,18H2
InChIKeyMBCXZZWEKXSJHG-UHFFFAOYSA-N
MW406.70 g/mol
LogP3.80
Rot. Bonds3

About [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (PubChem CID 103217634) has the molecular formula C15H20ClIN2O and a molecular weight of 406.70 g/mol. Its IUPAC name is [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
PubChem CID103217634
Molecular FormulaC15H20ClIN2O
Molecular Weight406.70 g/mol
Exact Mass406.03
IUPAC Name[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESNNC(c1ccc(I)c(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20ClIN2O/c16-12-8-10(2-3-13(12)17)14(19-18)11-4-7-20-15(9-11)5-1-6-15/h2-3,8,11,14,19H,1,4-7,9,18H2
InChIKeyMBCXZZWEKXSJHG-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 53.80
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

(3-chloro-4-iodophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 103215917
[(3,4-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105197240
[1,3-dihydro-2-benzofuran-5-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322181
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
[(3-chloro-4-iodophenyl)-cyclopentylmethyl]hydrazine
CID 103217237
3-[hydrazinyl(5-oxaspiro[3.5]nonan-8-yl)methyl]-N,N-dimethylaniline
CID 105322169
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (CID 103217634) is [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is NNC(c1ccc(I)c(Cl)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The InChIKey is MBCXZZWEKXSJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIN2O/c16-12-8-10(2-3-13(12)17)14(19-18)11-4-7-20-15(9-11)5-1-6-15/h2-3,8,11,14,19H,1,4-7,9,18H2.
What are the key properties of [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
[(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine has a molecular weight of 406.70 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is sourced from PubChem (CID 103217634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).