ethyl N-methyl-2-(oxan-4-yl)ethanimidate

C10H19NO2 — CID 89020400

IUPACethyl N-methyl-2-(oxan-4-yl)ethanimidate
SMILESCCO/C(CC1CCOCC1)=N\C
InChIInChI=1S/C10H19NO2/c1-3-13-10(11-2)8-9-4-6-12-7-5-9/h9H,3-8H2,1-2H3/b11-10-
InChIKeyGJHGLJPNMXYCAS-KHPPLWFESA-N
MW185.27 g/mol
LogP1.87
Rot. Bonds3

About ethyl N-methyl-2-(oxan-4-yl)ethanimidate

ethyl N-methyl-2-(oxan-4-yl)ethanimidate (PubChem CID 89020400) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl N-methyl-2-(oxan-4-yl)ethanimidate.

Molecular Properties

Compound Nameethyl N-methyl-2-(oxan-4-yl)ethanimidate
PubChem CID89020400
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl N-methyl-2-(oxan-4-yl)ethanimidate
SMILESCCO/C(CC1CCOCC1)=N\C
InChIInChI=1S/C10H19NO2/c1-3-13-10(11-2)8-9-4-6-12-7-5-9/h9H,3-8H2,1-2H3/b11-10-
InChIKeyGJHGLJPNMXYCAS-KHPPLWFESA-N
XLogP1.87
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-2-(oxan-4-yl)ethanimidate?
The IUPAC name of ethyl N-methyl-2-(oxan-4-yl)ethanimidate (CID 89020400) is ethyl N-methyl-2-(oxan-4-yl)ethanimidate.
What is the SMILES notation for ethyl N-methyl-2-(oxan-4-yl)ethanimidate?
The canonical SMILES for ethyl N-methyl-2-(oxan-4-yl)ethanimidate is CCO/C(CC1CCOCC1)=N\C.
What is the InChIKey of ethyl N-methyl-2-(oxan-4-yl)ethanimidate?
The InChIKey is GJHGLJPNMXYCAS-KHPPLWFESA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(11-2)8-9-4-6-12-7-5-9/h9H,3-8H2,1-2H3/b11-10-.
What are the key properties of ethyl N-methyl-2-(oxan-4-yl)ethanimidate?
ethyl N-methyl-2-(oxan-4-yl)ethanimidate has a molecular weight of 185.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-2-(oxan-4-yl)ethanimidate is sourced from PubChem (CID 89020400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).