1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine

C5H9N5 — CID 140931948

IUPAC1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine
SMILESC=CC=N/N=C(\N)NN=C
InChIInChI=1S/C5H9N5/c1-3-4-8-10-5(6)9-7-2/h3-4H,1-2H2,(H3,6,9,10)
InChIKeyXUGQWMUEWJHOIS-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.32
Rot. Bonds3

About 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine

1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine (PubChem CID 140931948) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine.

Molecular Properties

Compound Name1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine
PubChem CID140931948
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine
SMILESC=CC=N/N=C(\N)NN=C
InChIInChI=1S/C5H9N5/c1-3-4-8-10-5(6)9-7-2/h3-4H,1-2H2,(H3,6,9,10)
InChIKeyXUGQWMUEWJHOIS-UHFFFAOYSA-N
XLogP-0.32
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine 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-(methylideneamino)-2-(prop-2-enylideneamino)guanidine?
The IUPAC name of 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine (CID 140931948) is 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine.
What is the SMILES notation for 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine?
The canonical SMILES for 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine is C=CC=N/N=C(\N)NN=C.
What is the InChIKey of 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine?
The InChIKey is XUGQWMUEWJHOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-3-4-8-10-5(6)9-7-2/h3-4H,1-2H2,(H3,6,9,10).
What are the key properties of 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine?
1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine has a molecular weight of 139.16 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine is sourced from PubChem (CID 140931948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).