N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine

C13H23NO2 — CID 86750119

IUPACN-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine
SMILESCC(C)(C)C1CCC2(CC1)CC(=NO)CO2
InChIInChI=1S/C13H23NO2/c1-12(2,3)10-4-6-13(7-5-10)8-11(14-15)9-16-13/h10,15H,4-9H2,1-3H3
InChIKeyUVAIEIFYLALIEL-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.21
Rot. Bonds

About N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine

N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine (PubChem CID 86750119) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine
PubChem CID86750119
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine
SMILESCC(C)(C)C1CCC2(CC1)CC(=NO)CO2
InChIInChI=1S/C13H23NO2/c1-12(2,3)10-4-6-13(7-5-10)8-11(14-15)9-16-13/h10,15H,4-9H2,1-3H3
InChIKeyUVAIEIFYLALIEL-UHFFFAOYSA-N
XLogP3.21
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine?
The IUPAC name of N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine (CID 86750119) is N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine?
The canonical SMILES for N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine is CC(C)(C)C1CCC2(CC1)CC(=NO)CO2.
What is the InChIKey of N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine?
The InChIKey is UVAIEIFYLALIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)10-4-6-13(7-5-10)8-11(14-15)9-16-13/h10,15H,4-9H2,1-3H3.
What are the key properties of N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine?
N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine has a molecular weight of 225.33 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tert-butyl-1-oxaspiro[4.5]decan-3-ylidene)hydroxylamine is sourced from PubChem (CID 86750119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).