2-amino-N-methyl-2-methyliminoacetamide

C4H9N3O — CID 13001614

IUPAC2-amino-N-methyl-2-methyliminoacetamide
SMILESC/N=C(\N)C(=O)NC
InChIInChI=1S/C4H9N3O/c1-6-3(5)4(8)7-2/h1-2H3,(H2,5,6)(H,7,8)
InChIKeyKJCMCDJJGOCZBO-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.28
Rot. Bonds

About 2-amino-N-methyl-2-methyliminoacetamide

2-amino-N-methyl-2-methyliminoacetamide (PubChem CID 13001614) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-amino-N-methyl-2-methyliminoacetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-methyliminoacetamide
PubChem CID13001614
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-amino-N-methyl-2-methyliminoacetamide
SMILESC/N=C(\N)C(=O)NC
InChIInChI=1S/C4H9N3O/c1-6-3(5)4(8)7-2/h1-2H3,(H2,5,6)(H,7,8)
InChIKeyKJCMCDJJGOCZBO-UHFFFAOYSA-N
XLogP-1.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-methyliminoacetamide?
The IUPAC name of 2-amino-N-methyl-2-methyliminoacetamide (CID 13001614) is 2-amino-N-methyl-2-methyliminoacetamide.
What is the SMILES notation for 2-amino-N-methyl-2-methyliminoacetamide?
The canonical SMILES for 2-amino-N-methyl-2-methyliminoacetamide is C/N=C(\N)C(=O)NC.
What is the InChIKey of 2-amino-N-methyl-2-methyliminoacetamide?
The InChIKey is KJCMCDJJGOCZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-6-3(5)4(8)7-2/h1-2H3,(H2,5,6)(H,7,8).
What are the key properties of 2-amino-N-methyl-2-methyliminoacetamide?
2-amino-N-methyl-2-methyliminoacetamide has a molecular weight of 115.14 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-methyliminoacetamide is sourced from PubChem (CID 13001614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).