N,N'-diamino-4-methylbenzenecarboximidamide

C8H12N4 — CID 15721498

IUPACN,N'-diamino-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(=N/N)NN)cc1
InChIInChI=1S/C8H12N4/c1-6-2-4-7(5-3-6)8(11-9)12-10/h2-5H,9-10H2,1H3,(H,11,12)
InChIKeyYSIUSSAISWANJU-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.08
Rot. Bonds1

About N,N'-diamino-4-methylbenzenecarboximidamide

N,N'-diamino-4-methylbenzenecarboximidamide (PubChem CID 15721498) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N,N'-diamino-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-methylbenzenecarboximidamide
PubChem CID15721498
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN,N'-diamino-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(=N/N)NN)cc1
InChIInChI=1S/C8H12N4/c1-6-2-4-7(5-3-6)8(11-9)12-10/h2-5H,9-10H2,1H3,(H,11,12)
InChIKeyYSIUSSAISWANJU-UHFFFAOYSA-N
XLogP0.08
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.08
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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Related Compounds

N-amino-N',4-dimethylbenzenecarboximidamide
CID 61360444
N,N'-diamino-2-(4-methylphenyl)benzenecarboximidamide
CID 137403371
N,N'-diamino-4-[2-(4-hydroxyphenyl)ethynyl]benzenecarboximidamide
CID 145059290
[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
methyl (1E)-4-methylbenzenecarbohydrazonate
CID 55253274
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
ethane;4-methylbenzohydrazide
CID 143952809
N,N'-diamino-4-[2-(4-chloro-3-methyl-2-pyridinyl)ethyl]benzenecarboximidamide
CID 143142729
N,N'-diamino-3-propan-2-ylbenzenecarboximidamide
CID 170970616
N-amino-4-chloro-N'-methylbenzenecarboximidamide
CID 61361047
N,N'-diamino-N,4-dimethylbenzenecarboximidamide
CID 15721514
N,N'-diamino-4-[[4-(2-methylpropanoyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 170755771

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-methylbenzenecarboximidamide?
The IUPAC name of N,N'-diamino-4-methylbenzenecarboximidamide (CID 15721498) is N,N'-diamino-4-methylbenzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-4-methylbenzenecarboximidamide?
The canonical SMILES for N,N'-diamino-4-methylbenzenecarboximidamide is Cc1ccc(/C(=N/N)NN)cc1.
What is the InChIKey of N,N'-diamino-4-methylbenzenecarboximidamide?
The InChIKey is YSIUSSAISWANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-2-4-7(5-3-6)8(11-9)12-10/h2-5H,9-10H2,1H3,(H,11,12).
What are the key properties of N,N'-diamino-4-methylbenzenecarboximidamide?
N,N'-diamino-4-methylbenzenecarboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-methylbenzenecarboximidamide is sourced from PubChem (CID 15721498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).