N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide

C5H9N3 — CID 129144892

IUPACN-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide
SMILESC=N/C=N\NC(=C)C
InChIInChI=1S/C5H9N3/c1-5(2)8-7-4-6-3/h4,8H,1,3H2,2H3/b7-4-
InChIKeyAWHFPSIZZHLWNO-DAXSKMNVSA-N
MW111.15 g/mol
LogP0.75
Rot. Bonds3

About N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide

N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide (PubChem CID 129144892) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide
PubChem CID129144892
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide
SMILESC=N/C=N\NC(=C)C
InChIInChI=1S/C5H9N3/c1-5(2)8-7-4-6-3/h4,8H,1,3H2,2H3/b7-4-
InChIKeyAWHFPSIZZHLWNO-DAXSKMNVSA-N
XLogP0.75
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide 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 N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide?
The IUPAC name of N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide (CID 129144892) is N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide.
What is the SMILES notation for N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide?
The canonical SMILES for N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide is C=N/C=N\NC(=C)C.
What is the InChIKey of N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide?
The InChIKey is AWHFPSIZZHLWNO-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(2)8-7-4-6-3/h4,8H,1,3H2,2H3/b7-4-.
What are the key properties of N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide?
N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(prop-1-en-2-ylamino)methanimidamide is sourced from PubChem (CID 129144892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).