(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine

C11H19NO4 — CID 10537370

IUPAC(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine
SMILESCO/N=C(\C)C1(C)OOC2(CCCCC2)O1
InChIInChI=1S/C11H19NO4/c1-9(12-13-3)10(2)14-11(16-15-10)7-5-4-6-8-11/h4-8H2,1-3H3/b12-9+
InChIKeyZFZDSTHPNLIXMO-FMIVXFBMSA-N
MW229.28 g/mol
LogP2.36
Rot. Bonds2

About (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine

(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine (PubChem CID 10537370) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine
PubChem CID10537370
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine
SMILESCO/N=C(\C)C1(C)OOC2(CCCCC2)O1
InChIInChI=1S/C11H19NO4/c1-9(12-13-3)10(2)14-11(16-15-10)7-5-4-6-8-11/h4-8H2,1-3H3/b12-9+
InChIKeyZFZDSTHPNLIXMO-FMIVXFBMSA-N
XLogP2.36
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine?
The IUPAC name of (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine (CID 10537370) is (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine.
What is the SMILES notation for (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine?
The canonical SMILES for (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine is CO/N=C(\C)C1(C)OOC2(CCCCC2)O1.
What is the InChIKey of (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine?
The InChIKey is ZFZDSTHPNLIXMO-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(12-13-3)10(2)14-11(16-15-10)7-5-4-6-8-11/h4-8H2,1-3H3/b12-9+.
What are the key properties of (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine?
(E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine has a molecular weight of 229.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)ethanimine is sourced from PubChem (CID 10537370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).