N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide

C7H12N4O — CID 90245600

IUPACN-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
SMILESC=C(N/C=N/C=N/C)C(=O)NC
InChIInChI=1S/C7H12N4O/c1-6(7(12)9-3)11-5-10-4-8-2/h4-5H,1H2,2-3H3,(H,9,12)(H,8,10,11)
InChIKeyOTQKKAWUBDKLFZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.48
Rot. Bonds4

About N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide

N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide (PubChem CID 90245600) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
PubChem CID90245600
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide
SMILESC=C(N/C=N/C=N/C)C(=O)NC
InChIInChI=1S/C7H12N4O/c1-6(7(12)9-3)11-5-10-4-8-2/h4-5H,1H2,2-3H3,(H,9,12)(H,8,10,11)
InChIKeyOTQKKAWUBDKLFZ-UHFFFAOYSA-N
XLogP-0.48
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
The IUPAC name of N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide (CID 90245600) is N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide.
What is the SMILES notation for N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
The canonical SMILES for N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide is C=C(N/C=N/C=N/C)C(=O)NC.
What is the InChIKey of N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
The InChIKey is OTQKKAWUBDKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-6(7(12)9-3)11-5-10-4-8-2/h4-5H,1H2,2-3H3,(H,9,12)(H,8,10,11).
What are the key properties of N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide?
N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methyliminomethyliminomethylamino)prop-2-enamide is sourced from PubChem (CID 90245600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).