N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide

C15H15N3 — CID 123171228

IUPACN-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1/N=C(\N=C\N)c1ccccc1
InChIInChI=1S/C15H15N3/c1-12-7-5-6-10-14(12)18-15(17-11-16)13-8-3-2-4-9-13/h2-11H,1H3,(H2,16,17,18)
InChIKeyKOFFUTDBJCLYTL-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.06
Rot. Bonds2

About N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide

N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide (PubChem CID 123171228) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
PubChem CID123171228
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
SMILESCc1ccccc1/N=C(\N=C\N)c1ccccc1
InChIInChI=1S/C15H15N3/c1-12-7-5-6-10-14(12)18-15(17-11-16)13-8-3-2-4-9-13/h2-11H,1H3,(H2,16,17,18)
InChIKeyKOFFUTDBJCLYTL-UHFFFAOYSA-N
XLogP3.06
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.06
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-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 90076773
N-(aminomethylidene)benzamide
CID 55287210
phenyl N'-(2-methylphenyl)carbamimidate
CID 142151989
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
(E)-4,4,4-trifluoro-3-(2-methylphenyl)iminobut-1-ene-1,2-diamine
CID 169213393
N-(4-methoxyphenyl)-N'-(2-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339966
N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 118014666
N-(4-bromophenyl)-N'-(2-methylphenyl)benzenecarboximidamide
CID 4779287
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide?
The IUPAC name of N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide (CID 123171228) is N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide is Cc1ccccc1/N=C(\N=C\N)c1ccccc1.
What is the InChIKey of N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide?
The InChIKey is KOFFUTDBJCLYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-7-5-6-10-14(12)18-15(17-11-16)13-8-3-2-4-9-13/h2-11H,1H3,(H2,16,17,18).
What are the key properties of N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide?
N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide has a molecular weight of 237.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 123171228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).