N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide

C8H11BrN4 — CID 167390654

IUPACN,N'-diamino-4-bromo-N-methylbenzenecarboximidamide
SMILESCN(N)/C(=N\N)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN4/c1-13(11)8(12-10)6-2-4-7(9)5-3-6/h2-5H,10-11H2,1H3/b12-8-
InChIKeyIDMAOAWBQGAVDA-WQLSENKSSA-N
MW243.11 g/mol
LogP0.87
Rot. Bonds1

About N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide

N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide (PubChem CID 167390654) has the molecular formula C8H11BrN4 and a molecular weight of 243.11 g/mol. Its IUPAC name is N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-bromo-N-methylbenzenecarboximidamide
PubChem CID167390654
Molecular FormulaC8H11BrN4
Molecular Weight243.11 g/mol
Exact Mass242.02
IUPAC NameN,N'-diamino-4-bromo-N-methylbenzenecarboximidamide
SMILESCN(N)/C(=N\N)c1ccc(Br)cc1
InChIInChI=1S/C8H11BrN4/c1-13(11)8(12-10)6-2-4-7(9)5-3-6/h2-5H,10-11H2,1H3/b12-8-
InChIKeyIDMAOAWBQGAVDA-WQLSENKSSA-N
XLogP0.87
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 50.87
H-Bond Donors ≤ 52
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-4-bromobenzene-1-carboximidamide
CID 75480382
4-bromo-N'-methylbenzimidamide-N'-oxide
CID 129766788
5-(2-Bromo-5-fluoro-phenyl)-1-methyl-2H-tetrazole
CID 21069927
N-amino-4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 58955318
5-(4-Bromo-2-fluorophenyl)-2-methyl-1,3-dihydrotetrazole
CID 68430121
N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide
CID 71188492
4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 90439651
N,N'-diamino-4-fluoro-N-methylbenzenecarboximidamide
CID 145614605
N-amino-4-bromo-2-fluoro-N'-propylbenzenecarboximidamide
CID 61361685
N-amino-4-bromo-N'-ethyl-2-fluorobenzenecarboximidamide
CID 61363230
N-amino-4-bromo-3-fluoro-N'-methylbenzenecarboximidamide
CID 61704181
N-amino-4-bromo-N'-ethyl-3-fluorobenzenecarboximidamide
CID 61704182

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide?
The IUPAC name of N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide (CID 167390654) is N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide.
What is the SMILES notation for N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide?
The canonical SMILES for N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide is CN(N)/C(=N\N)c1ccc(Br)cc1.
What is the InChIKey of N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide?
The InChIKey is IDMAOAWBQGAVDA-WQLSENKSSA-N. The full InChI is InChI=1S/C8H11BrN4/c1-13(11)8(12-10)6-2-4-7(9)5-3-6/h2-5H,10-11H2,1H3/b12-8-.
What are the key properties of N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide?
N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide has a molecular weight of 243.11 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-bromo-N-methylbenzenecarboximidamide is sourced from PubChem (CID 167390654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).