2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine

C8H20N4O2 — CID 101178947

IUPAC2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine
SMILESCOCCN(C)/N=N/N(C)CCOC
InChIInChI=1S/C8H20N4O2/c1-11(5-7-13-3)9-10-12(2)6-8-14-4/h5-8H2,1-4H3/b10-9+
InChIKeyCNJGTXAOKHNSOW-MDZDMXLPSA-N
MW204.27 g/mol
LogP0.43
Rot. Bonds8

About 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine

2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine (PubChem CID 101178947) has the molecular formula C8H20N4O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine
PubChem CID101178947
Molecular FormulaC8H20N4O2
Molecular Weight204.27 g/mol
Exact Mass204.16
IUPAC Name2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine
SMILESCOCCN(C)/N=N/N(C)CCOC
InChIInChI=1S/C8H20N4O2/c1-11(5-7-13-3)9-10-12(2)6-8-14-4/h5-8H2,1-4H3/b10-9+
InChIKeyCNJGTXAOKHNSOW-MDZDMXLPSA-N
XLogP0.43
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
The IUPAC name of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine (CID 101178947) is 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine.
What is the SMILES notation for 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
The canonical SMILES for 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine is COCCN(C)/N=N/N(C)CCOC.
What is the InChIKey of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
The InChIKey is CNJGTXAOKHNSOW-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H20N4O2/c1-11(5-7-13-3)9-10-12(2)6-8-14-4/h5-8H2,1-4H3/b10-9+.
What are the key properties of 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine?
2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine has a molecular weight of 204.27 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-[2-methoxyethyl(methyl)amino]diazenyl]-N-methylethanamine is sourced from PubChem (CID 101178947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).