2-ethoxyethyl 2-iminoethanimidate

C6H12N2O2 — CID 143885971

IUPAC2-ethoxyethyl 2-iminoethanimidate
SMILES[H]/N=C(/C=N/[H])OCCOCC
InChIInChI=1S/C6H12N2O2/c1-2-9-3-4-10-6(8)5-7/h5,7-8H,2-4H2,1H3/b7-5+,8-6-
InChIKeyRLSYEOOTZMOPTF-YMBWGVAGSA-N
MW144.17 g/mol
LogP0.67
Rot. Bonds5

About 2-ethoxyethyl 2-iminoethanimidate

2-ethoxyethyl 2-iminoethanimidate (PubChem CID 143885971) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethoxyethyl 2-iminoethanimidate.

Molecular Properties

Compound Name2-ethoxyethyl 2-iminoethanimidate
PubChem CID143885971
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-ethoxyethyl 2-iminoethanimidate
SMILES[H]/N=C(/C=N/[H])OCCOCC
InChIInChI=1S/C6H12N2O2/c1-2-9-3-4-10-6(8)5-7/h5,7-8H,2-4H2,1H3/b7-5+,8-6-
InChIKeyRLSYEOOTZMOPTF-YMBWGVAGSA-N
XLogP0.67
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxyethanimine
CID 15691123
(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
CID 18425181
2-(2-Iminoethoxy)ethanimine
CID 56630444
3-(2-Methoxyethoxy)propan-1-imine
CID 57936674
2-(2-methoxyethoxy)-N-methylethanimine
CID 58091717
(2E)-2-(2-ethoxyethoxyimino)ethanamine
CID 58684088
O-[2-[2-(2-methoxyethylideneamino)oxyethoxy]ethyl]hydroxylamine
CID 59782651
2-(2-Ethoxyethoxyimino)ethanamine
CID 72390935
1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
CID 88183262
2-(2-Methoxyethoxy)ethylideneurea
CID 91281519
2-[2-(2-Iminoethoxy)ethoxy]ethanimine
CID 131982849
2-(2-Ethoxyethoxy)ethanimine
CID 140986269

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-iminoethanimidate?
The IUPAC name of 2-ethoxyethyl 2-iminoethanimidate (CID 143885971) is 2-ethoxyethyl 2-iminoethanimidate.
What is the SMILES notation for 2-ethoxyethyl 2-iminoethanimidate?
The canonical SMILES for 2-ethoxyethyl 2-iminoethanimidate is [H]/N=C(/C=N/[H])OCCOCC.
What is the InChIKey of 2-ethoxyethyl 2-iminoethanimidate?
The InChIKey is RLSYEOOTZMOPTF-YMBWGVAGSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-9-3-4-10-6(8)5-7/h5,7-8H,2-4H2,1H3/b7-5+,8-6-.
What are the key properties of 2-ethoxyethyl 2-iminoethanimidate?
2-ethoxyethyl 2-iminoethanimidate has a molecular weight of 144.17 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-iminoethanimidate is sourced from PubChem (CID 143885971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).