[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine

C13H26N2OS — CID 105226279

IUPAC[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCC(C)SCC(NN)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H26N2OS/c1-10(2)17-9-12(15-14)11-4-7-16-13(8-11)5-3-6-13/h10-12,15H,3-9,14H2,1-2H3
InChIKeyNKDCHPSDBNLDTR-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.31
Rot. Bonds5

About [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine

[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 105226279) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
PubChem CID105226279
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCC(C)SCC(NN)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H26N2OS/c1-10(2)17-9-12(15-14)11-4-7-16-13(8-11)5-3-6-13/h10-12,15H,3-9,14H2,1-2H3
InChIKeyNKDCHPSDBNLDTR-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.31
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-(2-methylpropylsulfanyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105226976
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
3-hydrazinyl-N,N-dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 105259412
[2-(3-chlorophenyl)sulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105238010
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
CID 105269800
[2-(2,6-dichlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105209863
[1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylpropyl]hydrazine
CID 105205823
[2-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105197807
[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 105206151
(1-cycloheptyl-2-propan-2-ylsulfanylethyl)hydrazine
CID 105226066

Frequently Asked Questions

What is the IUPAC name of [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 105226279) is [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine is CC(C)SCC(NN)C1CCOC2(CCC2)C1.
What is the InChIKey of [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is NKDCHPSDBNLDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10(2)17-9-12(15-14)11-4-7-16-13(8-11)5-3-6-13/h10-12,15H,3-9,14H2,1-2H3.
What are the key properties of [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 258.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-oxaspiro[3.5]nonan-8-yl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 105226279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).