N'-[(E)-ethylideneamino]-2-methoxyethanimidamide

C5H11N3O — CID 172984944

IUPACN'-[(E)-ethylideneamino]-2-methoxyethanimidamide
SMILESC/C=N/N=C(N)COC
InChIInChI=1S/C5H11N3O/c1-3-7-8-5(6)4-9-2/h3H,4H2,1-2H3,(H2,6,8)/b7-3+
InChIKeyKYNROWVPZUBTBJ-XVNBXDOJSA-N
MW129.16 g/mol
LogP-0.00
Rot. Bonds3

About N'-[(E)-ethylideneamino]-2-methoxyethanimidamide

N'-[(E)-ethylideneamino]-2-methoxyethanimidamide (PubChem CID 172984944) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N'-[(E)-ethylideneamino]-2-methoxyethanimidamide.

Molecular Properties

Compound NameN'-[(E)-ethylideneamino]-2-methoxyethanimidamide
PubChem CID172984944
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN'-[(E)-ethylideneamino]-2-methoxyethanimidamide
SMILESC/C=N/N=C(N)COC
InChIInChI=1S/C5H11N3O/c1-3-7-8-5(6)4-9-2/h3H,4H2,1-2H3,(H2,6,8)/b7-3+
InChIKeyKYNROWVPZUBTBJ-XVNBXDOJSA-N
XLogP-0.00
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-[(E)-ethylideneamino]-2-methoxyethanimidamide?
The IUPAC name of N'-[(E)-ethylideneamino]-2-methoxyethanimidamide (CID 172984944) is N'-[(E)-ethylideneamino]-2-methoxyethanimidamide.
What is the SMILES notation for N'-[(E)-ethylideneamino]-2-methoxyethanimidamide?
The canonical SMILES for N'-[(E)-ethylideneamino]-2-methoxyethanimidamide is C/C=N/N=C(N)COC.
What is the InChIKey of N'-[(E)-ethylideneamino]-2-methoxyethanimidamide?
The InChIKey is KYNROWVPZUBTBJ-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-7-8-5(6)4-9-2/h3H,4H2,1-2H3,(H2,6,8)/b7-3+.
What are the key properties of N'-[(E)-ethylideneamino]-2-methoxyethanimidamide?
N'-[(E)-ethylideneamino]-2-methoxyethanimidamide has a molecular weight of 129.16 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-ethylideneamino]-2-methoxyethanimidamide is sourced from PubChem (CID 172984944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).