2-[(E)-naphthalen-1-ylmethylideneamino]guanidine

C12H12N4 — CID 6364843

IUPAC2-[(E)-naphthalen-1-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc2ccccc12
InChIInChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)/b15-8+
InChIKeyNVHWNXLYJMDMAD-OVCLIPMQSA-N
MW212.26 g/mol
LogP1.45
Rot. Bonds2

About 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine

2-[(E)-naphthalen-1-ylmethylideneamino]guanidine (PubChem CID 6364843) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-naphthalen-1-ylmethylideneamino]guanidine
PubChem CID6364843
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-[(E)-naphthalen-1-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cccc2ccccc12
InChIInChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)/b15-8+
InChIKeyNVHWNXLYJMDMAD-OVCLIPMQSA-N
XLogP1.45
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
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 2-[(E)-naphthalen-1-ylmethylideneamino]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 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine?
The IUPAC name of 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine (CID 6364843) is 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine is NC(N)=N/N=C/c1cccc2ccccc12.
What is the InChIKey of 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine?
The InChIKey is NVHWNXLYJMDMAD-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H12N4/c13-12(14)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H4,13,14,16)/b15-8+.
What are the key properties of 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine?
2-[(E)-naphthalen-1-ylmethylideneamino]guanidine has a molecular weight of 212.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-naphthalen-1-ylmethylideneamino]guanidine is sourced from PubChem (CID 6364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).