N-ethoxyoxan-4-imine

C7H13NO2 — CID 90826046

IUPACN-ethoxyoxan-4-imine
SMILESCCON=C1CCOCC1
InChIInChI=1S/C7H13NO2/c1-2-10-8-7-3-5-9-6-4-7/h2-6H2,1H3
InChIKeyXLYUCHFDSQAZRC-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds2

About N-ethoxyoxan-4-imine

N-ethoxyoxan-4-imine (PubChem CID 90826046) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-ethoxyoxan-4-imine.

Molecular Properties

Compound NameN-ethoxyoxan-4-imine
PubChem CID90826046
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-ethoxyoxan-4-imine
SMILESCCON=C1CCOCC1
InChIInChI=1S/C7H13NO2/c1-2-10-8-7-3-5-9-6-4-7/h2-6H2,1H3
InChIKeyXLYUCHFDSQAZRC-UHFFFAOYSA-N
XLogP1.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-ylidene)hydroxylamine
CID 12298558
N-methoxyoxan-4-imine
CID 10909596
4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
CID 12307804
(NE)-N-(oxan-3-ylidene)hydroxylamine
CID 12298577
N-(oxan-3-ylidene)hydroxylamine
CID 21853782
N-propan-2-yloxyoxan-4-imine
CID 59380355
N-(2-methylpropoxy)oxan-4-imine
CID 89785944
ethane;3-methyl-5,6-dihydro-4H-oxazine
CID 91487152
N-(1-ethoxypentan-3-ylidene)hydroxylamine
CID 140382301
Oxan-4-ylideneazanide
CID 143517371
(E)-N-(oxan-4-yloxy)pentan-2-imine
CID 144032710
ethane;N-ethoxyoxan-4-imine
CID 144110543

Frequently Asked Questions

What is the IUPAC name of N-ethoxyoxan-4-imine?
The IUPAC name of N-ethoxyoxan-4-imine (CID 90826046) is N-ethoxyoxan-4-imine.
What is the SMILES notation for N-ethoxyoxan-4-imine?
The canonical SMILES for N-ethoxyoxan-4-imine is CCON=C1CCOCC1.
What is the InChIKey of N-ethoxyoxan-4-imine?
The InChIKey is XLYUCHFDSQAZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-8-7-3-5-9-6-4-7/h2-6H2,1H3.
What are the key properties of N-ethoxyoxan-4-imine?
N-ethoxyoxan-4-imine has a molecular weight of 143.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyoxan-4-imine is sourced from PubChem (CID 90826046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).