N-methyl-2-[2-(methylamino)ethenoxy]ethenamine

C6H12N2O — CID 87593312

IUPACN-methyl-2-[2-(methylamino)ethenoxy]ethenamine
SMILESCNC=COC=CNC
InChIInChI=1S/C6H12N2O/c1-7-3-5-9-6-4-8-2/h3-8H,1-2H3
InChIKeyYYSCSCLJPADREG-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.38
Rot. Bonds4

About N-methyl-2-[2-(methylamino)ethenoxy]ethenamine

N-methyl-2-[2-(methylamino)ethenoxy]ethenamine (PubChem CID 87593312) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethenoxy]ethenamine.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethenoxy]ethenamine
PubChem CID87593312
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-methyl-2-[2-(methylamino)ethenoxy]ethenamine
SMILESCNC=COC=CNC
InChIInChI=1S/C6H12N2O/c1-7-3-5-9-6-4-8-2/h3-8H,1-2H3
InChIKeyYYSCSCLJPADREG-UHFFFAOYSA-N
XLogP0.38
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethenoxy]ethenamine?
The IUPAC name of N-methyl-2-[2-(methylamino)ethenoxy]ethenamine (CID 87593312) is N-methyl-2-[2-(methylamino)ethenoxy]ethenamine.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethenoxy]ethenamine?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethenoxy]ethenamine is CNC=COC=CNC.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethenoxy]ethenamine?
The InChIKey is YYSCSCLJPADREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-3-5-9-6-4-8-2/h3-8H,1-2H3.
What are the key properties of N-methyl-2-[2-(methylamino)ethenoxy]ethenamine?
N-methyl-2-[2-(methylamino)ethenoxy]ethenamine has a molecular weight of 128.17 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethenoxy]ethenamine is sourced from PubChem (CID 87593312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).