N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide

C15H17N5 — CID 154542315

IUPACN'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C15H17N5/c1-11-4-2-3-5-13(11)10-18-14-8-6-12(7-9-14)15(16)19-20-17/h2-9,18H,10H2,1H3,(H3,16,17,19)
InChIKeyQLPIUHOHFMADMY-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.26
Rot. Bonds5

About N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide

N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide (PubChem CID 154542315) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide
PubChem CID154542315
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide
SMILES[H]/N=N/N=C(N)c1ccc(NCc2ccccc2C)cc1
InChIInChI=1S/C15H17N5/c1-11-4-2-3-5-13(11)10-18-14-8-6-12(7-9-14)15(16)19-20-17/h2-9,18H,10H2,1H3,(H3,16,17,19)
InChIKeyQLPIUHOHFMADMY-UHFFFAOYSA-N
XLogP3.26
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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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Related Compounds

4-[(4-bromophenyl)methylamino]-N'-diazenylbenzenecarboximidamide
CID 142938524
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 99792432
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744
N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfanylmethyl)aniline
CID 83961148
N-[4-[(2-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982029
4-[[3-[[4-(N'-methylcarbamimidoyl)anilino]methyl]phenyl]methylamino]benzenecarboximidamide
CID 58652724
3-[(2-methylphenyl)methylamino]phenol
CID 28722272

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide?
The IUPAC name of N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide (CID 154542315) is N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide.
What is the SMILES notation for N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide?
The canonical SMILES for N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide is [H]/N=N/N=C(N)c1ccc(NCc2ccccc2C)cc1.
What is the InChIKey of N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide?
The InChIKey is QLPIUHOHFMADMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-4-2-3-5-13(11)10-18-14-8-6-12(7-9-14)15(16)19-20-17/h2-9,18H,10H2,1H3,(H3,16,17,19).
What are the key properties of N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide?
N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide has a molecular weight of 267.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-4-[(2-methylphenyl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 154542315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).