1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine

C13H24N2O — CID 105269800

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-2-5-12(15-14)11-6-9-16-13(10-11)7-3-4-8-13/h2,11-12,15H,1,3-10,14H2
InChIKeyYQZJBRLANHWLJK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.13
Rot. Bonds4

About 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine

1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine (PubChem CID 105269800) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
PubChem CID105269800
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-2-5-12(15-14)11-6-9-16-13(10-11)7-3-4-8-13/h2,11-12,15H,1,3-10,14H2
InChIKeyYQZJBRLANHWLJK-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 105206151
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
3-hydrazinyl-N,N-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 105259412
[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226279
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylbut-3-en-1-amine
CID 116661007
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
[2-(2-methylpropylsulfanyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105226976
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265992

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine (CID 105269800) is 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine is C=CCC(NN)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine?
The InChIKey is YQZJBRLANHWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-5-12(15-14)11-6-9-16-13(10-11)7-3-4-8-13/h2,11-12,15H,1,3-10,14H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine?
1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine has a molecular weight of 224.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine is sourced from PubChem (CID 105269800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).