2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide

C8H16N4O — CID 90245898

IUPAC2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide
SMILESCC/N=C/N/C=N/C(C)C(=O)NC
InChIInChI=1S/C8H16N4O/c1-4-10-5-11-6-12-7(2)8(13)9-3/h5-7H,4H2,1-3H3,(H,9,13)(H,10,11,12)
InChIKeyXNDHCHWLTCPYLH-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.21
Rot. Bonds5

About 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide

2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide (PubChem CID 90245898) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide
PubChem CID90245898
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide
SMILESCC/N=C/N/C=N/C(C)C(=O)NC
InChIInChI=1S/C8H16N4O/c1-4-10-5-11-6-12-7(2)8(13)9-3/h5-7H,4H2,1-3H3,(H,9,13)(H,10,11,12)
InChIKeyXNDHCHWLTCPYLH-UHFFFAOYSA-N
XLogP-0.21
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.21
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-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide?
The IUPAC name of 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide (CID 90245898) is 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide?
The canonical SMILES for 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide is CC/N=C/N/C=N/C(C)C(=O)NC.
What is the InChIKey of 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide?
The InChIKey is XNDHCHWLTCPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-4-10-5-11-6-12-7(2)8(13)9-3/h5-7H,4H2,1-3H3,(H,9,13)(H,10,11,12).
What are the key properties of 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide?
2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide has a molecular weight of 184.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethyliminomethylamino)methylideneamino]-N-methylpropanamide is sourced from PubChem (CID 90245898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).