2-ethylimino-N-methylpropanamide

C6H12N2O — CID 143512515

IUPAC2-ethylimino-N-methylpropanamide
SMILESCC/N=C(\C)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-8-5(2)6(9)7-3/h4H2,1-3H3,(H,7,9)/b8-5+
InChIKeyVPFNEQTZCPHPCY-VMPITWQZSA-N
MW128.17 g/mol
LogP0.21
Rot. Bonds2

About 2-ethylimino-N-methylpropanamide

2-ethylimino-N-methylpropanamide (PubChem CID 143512515) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethylimino-N-methylpropanamide.

Molecular Properties

Compound Name2-ethylimino-N-methylpropanamide
PubChem CID143512515
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-ethylimino-N-methylpropanamide
SMILESCC/N=C(\C)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-8-5(2)6(9)7-3/h4H2,1-3H3,(H,7,9)/b8-5+
InChIKeyVPFNEQTZCPHPCY-VMPITWQZSA-N
XLogP0.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-N-methylpropanamide?
The IUPAC name of 2-ethylimino-N-methylpropanamide (CID 143512515) is 2-ethylimino-N-methylpropanamide.
What is the SMILES notation for 2-ethylimino-N-methylpropanamide?
The canonical SMILES for 2-ethylimino-N-methylpropanamide is CC/N=C(\C)C(=O)NC.
What is the InChIKey of 2-ethylimino-N-methylpropanamide?
The InChIKey is VPFNEQTZCPHPCY-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-8-5(2)6(9)7-3/h4H2,1-3H3,(H,7,9)/b8-5+.
What are the key properties of 2-ethylimino-N-methylpropanamide?
2-ethylimino-N-methylpropanamide has a molecular weight of 128.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-N-methylpropanamide is sourced from PubChem (CID 143512515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).