N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride

C26H40Cl2N4 — CID 90664798

IUPACN'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\CCCCCCCCCCCC/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38N4.2ClH/c27-25(23-17-11-9-12-18-23)29-21-15-7-5-3-1-2-4-6-8-16-22-30-26(28)24-19-13-10-14-20-24;;/h9-14,17-20H,1-8,15-16,21-22H2,(H2,27,29)(H2,28,30);2*1H
InChIKeyYVAJICKVMZEMIX-UHFFFAOYSA-N
MW479.54 g/mol
LogP6.54
Rot. Bonds15

About N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride

N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride (PubChem CID 90664798) has the molecular formula C26H40Cl2N4 and a molecular weight of 479.54 g/mol. Its IUPAC name is N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride
PubChem CID90664798
Molecular FormulaC26H40Cl2N4
Molecular Weight479.54 g/mol
Exact Mass478.26
IUPAC NameN'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\CCCCCCCCCCCC/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38N4.2ClH/c27-25(23-17-11-9-12-18-23)29-21-15-7-5-3-1-2-4-6-8-16-22-30-26(28)24-19-13-10-14-20-24;;/h9-14,17-20H,1-8,15-16,21-22H2,(H2,27,29)(H2,28,30);2*1H
InChIKeyYVAJICKVMZEMIX-UHFFFAOYSA-N
XLogP6.54
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride 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'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride?
The IUPAC name of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride (CID 90664798) is N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride?
The canonical SMILES for N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride is Cl.Cl.N/C(=N\CCCCCCCCCCCC/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride?
The InChIKey is YVAJICKVMZEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4.2ClH/c27-25(23-17-11-9-12-18-23)29-21-15-7-5-3-1-2-4-6-8-16-22-30-26(28)24-19-13-10-14-20-24;;/h9-14,17-20H,1-8,15-16,21-22H2,(H2,27,29)(H2,28,30);2*1H.
What are the key properties of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride?
N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride has a molecular weight of 479.54 g/mol, XLogP of 6.54, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 90664798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).