2-(methyliminomethylamino)acetamide

C4H9N3O — CID 143453568

IUPAC2-(methyliminomethylamino)acetamide
SMILESC/N=C/NCC(N)=O
InChIInChI=1S/C4H9N3O/c1-6-3-7-2-4(5)8/h3H,2H2,1H3,(H2,5,8)(H,6,7)
InChIKeyNARHCHHSIATLJB-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.28
Rot. Bonds3

About 2-(methyliminomethylamino)acetamide

2-(methyliminomethylamino)acetamide (PubChem CID 143453568) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-(methyliminomethylamino)acetamide.

Molecular Properties

Compound Name2-(methyliminomethylamino)acetamide
PubChem CID143453568
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-(methyliminomethylamino)acetamide
SMILESC/N=C/NCC(N)=O
InChIInChI=1S/C4H9N3O/c1-6-3-7-2-4(5)8/h3H,2H2,1H3,(H2,5,8)(H,6,7)
InChIKeyNARHCHHSIATLJB-UHFFFAOYSA-N
XLogP-1.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.28
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'}

Analyze 2-(methyliminomethylamino)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803
N'-methyl-N-[2-(methylamino)ethyl]methanimidamide
CID 142151243
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
2-(chloroamino)acetamide
CID 55284319
2-methylsilylacetamide
CID 123157412
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
propanediamide
CID 7911
2-(propylamino)acetamide
CID 15839438
2,2-dimethyl-3-methyliminopropanamide
CID 123908359
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553

Frequently Asked Questions

What is the IUPAC name of 2-(methyliminomethylamino)acetamide?
The IUPAC name of 2-(methyliminomethylamino)acetamide (CID 143453568) is 2-(methyliminomethylamino)acetamide.
What is the SMILES notation for 2-(methyliminomethylamino)acetamide?
The canonical SMILES for 2-(methyliminomethylamino)acetamide is C/N=C/NCC(N)=O.
What is the InChIKey of 2-(methyliminomethylamino)acetamide?
The InChIKey is NARHCHHSIATLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-6-3-7-2-4(5)8/h3H,2H2,1H3,(H2,5,8)(H,6,7).
What are the key properties of 2-(methyliminomethylamino)acetamide?
2-(methyliminomethylamino)acetamide has a molecular weight of 115.14 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethylamino)acetamide is sourced from PubChem (CID 143453568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).