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

C26H38N4 — CID 46946064

IUPACN'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide
SMILESN/C(=N\CCCCCCCCCCCC/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38N4/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)
InChIKeyTVFUGRPSRNLGGK-UHFFFAOYSA-N
MW406.62 g/mol
LogP5.70
Rot. Bonds15

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

N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide (PubChem CID 46946064) has the molecular formula C26H38N4 and a molecular weight of 406.62 g/mol. Its IUPAC name is N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide
PubChem CID46946064
Molecular FormulaC26H38N4
Molecular Weight406.62 g/mol
Exact Mass406.31
IUPAC NameN'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide
SMILESN/C(=N\CCCCCCCCCCCC/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38N4/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)
InChIKeyTVFUGRPSRNLGGK-UHFFFAOYSA-N
XLogP5.70
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 55.70
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide?
The IUPAC name of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide (CID 46946064) is N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide.
What is the SMILES notation for N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide?
The canonical SMILES for N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide is N/C(=N\CCCCCCCCCCCC/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide?
The InChIKey is TVFUGRPSRNLGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4/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).
What are the key properties of N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide?
N'-[12-[[amino(phenyl)methylidene]amino]dodecyl]benzenecarboximidamide has a molecular weight of 406.62 g/mol, XLogP of 5.70, 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 is sourced from PubChem (CID 46946064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).