2-(ethylamino)ethanimidate

C4H9N2O- — CID 148546390

IUPAC2-(ethylamino)ethanimidate
SMILES[H]/N=C(\[O-])CNCC
InChIInChI=1S/C4H10N2O/c1-2-6-3-4(5)7/h6H,2-3H2,1H3,(H2,5,7)/p-1
InChIKeySNFFHBJWQFQMBC-UHFFFAOYSA-M
MW101.13 g/mol
LogP-1.07
Rot. Bonds3

About 2-(ethylamino)ethanimidate

2-(ethylamino)ethanimidate (PubChem CID 148546390) has the molecular formula C4H9N2O- and a molecular weight of 101.13 g/mol. Its IUPAC name is 2-(ethylamino)ethanimidate.

Molecular Properties

Compound Name2-(ethylamino)ethanimidate
PubChem CID148546390
Molecular FormulaC4H9N2O-
Molecular Weight101.13 g/mol
Exact Mass101.07
IUPAC Name2-(ethylamino)ethanimidate
SMILES[H]/N=C(\[O-])CNCC
InChIInChI=1S/C4H10N2O/c1-2-6-3-4(5)7/h6H,2-3H2,1H3,(H2,5,7)/p-1
InChIKeySNFFHBJWQFQMBC-UHFFFAOYSA-M
XLogP-1.07
TPSA58.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
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 2-(ethylamino)ethanimidate?
The IUPAC name of 2-(ethylamino)ethanimidate (CID 148546390) is 2-(ethylamino)ethanimidate.
What is the SMILES notation for 2-(ethylamino)ethanimidate?
The canonical SMILES for 2-(ethylamino)ethanimidate is [H]/N=C(\[O-])CNCC.
What is the InChIKey of 2-(ethylamino)ethanimidate?
The InChIKey is SNFFHBJWQFQMBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O/c1-2-6-3-4(5)7/h6H,2-3H2,1H3,(H2,5,7)/p-1.
What are the key properties of 2-(ethylamino)ethanimidate?
2-(ethylamino)ethanimidate has a molecular weight of 101.13 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanimidate is sourced from PubChem (CID 148546390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).