N-(methoxymethyl)ethanimine

C4H9NO — CID 72602615

IUPACN-(methoxymethyl)ethanimine
SMILESCC=NCOC
InChIInChI=1S/C4H9NO/c1-3-5-4-6-2/h3H,4H2,1-2H3
InChIKeyQVJPBRGLXJNVPJ-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.68
Rot. Bonds2

About N-(methoxymethyl)ethanimine

N-(methoxymethyl)ethanimine (PubChem CID 72602615) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is N-(methoxymethyl)ethanimine.

Molecular Properties

Compound NameN-(methoxymethyl)ethanimine
PubChem CID72602615
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC NameN-(methoxymethyl)ethanimine
SMILESCC=NCOC
InChIInChI=1S/C4H9NO/c1-3-5-4-6-2/h3H,4H2,1-2H3
InChIKeyQVJPBRGLXJNVPJ-UHFFFAOYSA-N
XLogP0.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)ethanimine?
The IUPAC name of N-(methoxymethyl)ethanimine (CID 72602615) is N-(methoxymethyl)ethanimine.
What is the SMILES notation for N-(methoxymethyl)ethanimine?
The canonical SMILES for N-(methoxymethyl)ethanimine is CC=NCOC.
What is the InChIKey of N-(methoxymethyl)ethanimine?
The InChIKey is QVJPBRGLXJNVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-5-4-6-2/h3H,4H2,1-2H3.
What are the key properties of N-(methoxymethyl)ethanimine?
N-(methoxymethyl)ethanimine has a molecular weight of 87.12 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)ethanimine is sourced from PubChem (CID 72602615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).