2-[(E)-ethylideneamino]oxy-N-methylethanamine

C5H12N2O — CID 58684218

IUPAC2-[(E)-ethylideneamino]oxy-N-methylethanamine
SMILESC/C=N/OCCNC
InChIInChI=1S/C5H12N2O/c1-3-7-8-5-4-6-2/h3,6H,4-5H2,1-2H3/b7-3+
InChIKeyIKYMQDYHVHXYBS-XVNBXDOJSA-N
MW116.16 g/mol
LogP0.23
Rot. Bonds4

About 2-[(E)-ethylideneamino]oxy-N-methylethanamine

2-[(E)-ethylideneamino]oxy-N-methylethanamine (PubChem CID 58684218) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[(E)-ethylideneamino]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[(E)-ethylideneamino]oxy-N-methylethanamine
PubChem CID58684218
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-[(E)-ethylideneamino]oxy-N-methylethanamine
SMILESC/C=N/OCCNC
InChIInChI=1S/C5H12N2O/c1-3-7-8-5-4-6-2/h3,6H,4-5H2,1-2H3/b7-3+
InChIKeyIKYMQDYHVHXYBS-XVNBXDOJSA-N
XLogP0.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-ethylideneamino]oxy-N-methylethanamine?
The IUPAC name of 2-[(E)-ethylideneamino]oxy-N-methylethanamine (CID 58684218) is 2-[(E)-ethylideneamino]oxy-N-methylethanamine.
What is the SMILES notation for 2-[(E)-ethylideneamino]oxy-N-methylethanamine?
The canonical SMILES for 2-[(E)-ethylideneamino]oxy-N-methylethanamine is C/C=N/OCCNC.
What is the InChIKey of 2-[(E)-ethylideneamino]oxy-N-methylethanamine?
The InChIKey is IKYMQDYHVHXYBS-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-7-8-5-4-6-2/h3,6H,4-5H2,1-2H3/b7-3+.
What are the key properties of 2-[(E)-ethylideneamino]oxy-N-methylethanamine?
2-[(E)-ethylideneamino]oxy-N-methylethanamine has a molecular weight of 116.16 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-ethylideneamino]oxy-N-methylethanamine is sourced from PubChem (CID 58684218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).