N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide

C14H16N4 — CID 137403371

IUPACN,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(-c2ccccc2/C(=N/N)NN)cc1
InChIInChI=1S/C14H16N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(17-15)18-16/h2-9H,15-16H2,1H3,(H,17,18)
InChIKeyPLBWWQFLEAMELQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.75
Rot. Bonds2

About N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide

N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide (PubChem CID 137403371) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide
PubChem CID137403371
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(-c2ccccc2/C(=N/N)NN)cc1
InChIInChI=1S/C14H16N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(17-15)18-16/h2-9H,15-16H2,1H3,(H,17,18)
InChIKeyPLBWWQFLEAMELQ-UHFFFAOYSA-N
XLogP1.75
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide (CID 137403371) is N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide is Cc1ccc(-c2ccccc2/C(=N/N)NN)cc1.
What is the InChIKey of N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide?
The InChIKey is PLBWWQFLEAMELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(17-15)18-16/h2-9H,15-16H2,1H3,(H,17,18).
What are the key properties of N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide?
N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 137403371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).