methyl 2-(dimethylaminomethylideneamino)acetate

C6H12N2O2 — CID 12681099

IUPACmethyl 2-(dimethylaminomethylideneamino)acetate
SMILESCOC(=O)C/N=C/N(C)C
InChIInChI=1S/C6H12N2O2/c1-8(2)5-7-4-6(9)10-3/h5H,4H2,1-3H3/b7-5+
InChIKeyLBYUYFXRBXIIRT-FNORWQNLSA-N
MW144.17 g/mol
LogP-0.25
Rot. Bonds3

About methyl 2-(dimethylaminomethylideneamino)acetate

methyl 2-(dimethylaminomethylideneamino)acetate (PubChem CID 12681099) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-(dimethylaminomethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(dimethylaminomethylideneamino)acetate
PubChem CID12681099
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl 2-(dimethylaminomethylideneamino)acetate
SMILESCOC(=O)C/N=C/N(C)C
InChIInChI=1S/C6H12N2O2/c1-8(2)5-7-4-6(9)10-3/h5H,4H2,1-3H3/b7-5+
InChIKeyLBYUYFXRBXIIRT-FNORWQNLSA-N
XLogP-0.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
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 methyl 2-(dimethylaminomethylideneamino)acetate?
The IUPAC name of methyl 2-(dimethylaminomethylideneamino)acetate (CID 12681099) is methyl 2-(dimethylaminomethylideneamino)acetate.
What is the SMILES notation for methyl 2-(dimethylaminomethylideneamino)acetate?
The canonical SMILES for methyl 2-(dimethylaminomethylideneamino)acetate is COC(=O)C/N=C/N(C)C.
What is the InChIKey of methyl 2-(dimethylaminomethylideneamino)acetate?
The InChIKey is LBYUYFXRBXIIRT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8(2)5-7-4-6(9)10-3/h5H,4H2,1-3H3/b7-5+.
What are the key properties of methyl 2-(dimethylaminomethylideneamino)acetate?
methyl 2-(dimethylaminomethylideneamino)acetate has a molecular weight of 144.17 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylaminomethylideneamino)acetate is sourced from PubChem (CID 12681099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).