1-N'-(ethylideneamino)ethene-1,1-diamine

C4H9N3 — CID 58774645

IUPAC1-N'-(ethylideneamino)ethene-1,1-diamine
SMILESC=C(N)NN=CC
InChIInChI=1S/C4H9N3/c1-3-6-7-4(2)5/h3,7H,2,5H2,1H3
InChIKeyYEUYZADGGNOTEY-UHFFFAOYSA-N
MW99.14 g/mol
LogP0.01
Rot. Bonds2

About 1-N'-(ethylideneamino)ethene-1,1-diamine

1-N'-(ethylideneamino)ethene-1,1-diamine (PubChem CID 58774645) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1-N'-(ethylideneamino)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(ethylideneamino)ethene-1,1-diamine
PubChem CID58774645
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1-N'-(ethylideneamino)ethene-1,1-diamine
SMILESC=C(N)NN=CC
InChIInChI=1S/C4H9N3/c1-3-6-7-4(2)5/h3,7H,2,5H2,1H3
InChIKeyYEUYZADGGNOTEY-UHFFFAOYSA-N
XLogP0.01
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N'-(ethylideneamino)ethene-1,1-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 1-N'-(ethylideneamino)ethene-1,1-diamine?
The IUPAC name of 1-N'-(ethylideneamino)ethene-1,1-diamine (CID 58774645) is 1-N'-(ethylideneamino)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(ethylideneamino)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(ethylideneamino)ethene-1,1-diamine is C=C(N)NN=CC.
What is the InChIKey of 1-N'-(ethylideneamino)ethene-1,1-diamine?
The InChIKey is YEUYZADGGNOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3-6-7-4(2)5/h3,7H,2,5H2,1H3.
What are the key properties of 1-N'-(ethylideneamino)ethene-1,1-diamine?
1-N'-(ethylideneamino)ethene-1,1-diamine has a molecular weight of 99.14 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(ethylideneamino)ethene-1,1-diamine is sourced from PubChem (CID 58774645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).