N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide

C20H19N3 — CID 118014666

IUPACN-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide
SMILESC/C(N)=N\C(=N/c1ccccc1C)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3/c1-14-7-3-6-10-19(14)23-20(22-15(2)21)18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,1-2H3,(H2,21,22,23)
InChIKeyMVHYNZACFUUUPO-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.60
Rot. Bonds2

About N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide

N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide (PubChem CID 118014666) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide
PubChem CID118014666
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC NameN-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide
SMILESC/C(N)=N\C(=N/c1ccccc1C)c1ccc2ccccc2c1
InChIInChI=1S/C20H19N3/c1-14-7-3-6-10-19(14)23-20(22-15(2)21)18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,1-2H3,(H2,21,22,23)
InChIKeyMVHYNZACFUUUPO-UHFFFAOYSA-N
XLogP4.60
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide 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-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide?
The IUPAC name of N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide (CID 118014666) is N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide.
What is the SMILES notation for N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide?
The canonical SMILES for N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide is C/C(N)=N\C(=N/c1ccccc1C)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide?
The InChIKey is MVHYNZACFUUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-14-7-3-6-10-19(14)23-20(22-15(2)21)18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,1-2H3,(H2,21,22,23).
What are the key properties of N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide?
N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide has a molecular weight of 301.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide is sourced from PubChem (CID 118014666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).