1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine

C17H34N2O2 — CID 105323241

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
SMILESCCCCCCCC(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-16(19-18)15-8-11-21-17(14-15)9-12-20-13-10-17/h15-16,19H,2-14,18H2,1H3
InChIKeyNFVCUEAVIRDUED-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.15
Rot. Bonds8

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine (PubChem CID 105323241) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
PubChem CID105323241
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine
SMILESCCCCCCCC(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-16(19-18)15-8-11-21-17(14-15)9-12-20-13-10-17/h15-16,19H,2-14,18H2,1H3
InChIKeyNFVCUEAVIRDUED-UHFFFAOYSA-N
XLogP3.15
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-propylpentan-1-amine
CID 79911722
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylsulfanylpropyl]hydrazine
CID 105325595
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxybutyl]hydrazine
CID 105266981
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265992
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine (CID 105323241) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine is CCCCCCCC(NN)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine?
The InChIKey is NFVCUEAVIRDUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-2-3-4-5-6-7-16(19-18)15-8-11-21-17(14-15)9-12-20-13-10-17/h15-16,19H,2-14,18H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine has a molecular weight of 298.47 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)octylhydrazine is sourced from PubChem (CID 105323241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).