(Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine

C6H12N2O — CID 88908797

IUPAC(Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine
SMILESC=CN(/C=C\N)COC
InChIInChI=1S/C6H12N2O/c1-3-8(5-4-7)6-9-2/h3-5H,1,6-7H2,2H3/b5-4-
InChIKeyMLCDHGCLRDMVIF-PLNGDYQASA-N
MW128.17 g/mol
LogP0.47
Rot. Bonds4

About (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine

(Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine (PubChem CID 88908797) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine
PubChem CID88908797
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine
SMILESC=CN(/C=C\N)COC
InChIInChI=1S/C6H12N2O/c1-3-8(5-4-7)6-9-2/h3-5H,1,6-7H2,2H3/b5-4-
InChIKeyMLCDHGCLRDMVIF-PLNGDYQASA-N
XLogP0.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine?
The IUPAC name of (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine (CID 88908797) is (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine is C=CN(/C=C\N)COC.
What is the InChIKey of (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine?
The InChIKey is MLCDHGCLRDMVIF-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-8(5-4-7)6-9-2/h3-5H,1,6-7H2,2H3/b5-4-.
What are the key properties of (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine?
(Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine has a molecular weight of 128.17 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-N'-(methoxymethyl)ethene-1,2-diamine is sourced from PubChem (CID 88908797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).