N-amino-4-bromo-N-methylbenzenecarboximidamide

C8H10BrN3 — CID 68638953

IUPACN-amino-4-bromo-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(Br)cc1)N(C)N
InChIInChI=1S/C8H10BrN3/c1-12(11)8(10)6-2-4-7(9)5-3-6/h2-5,10H,11H2,1H3/b10-8-
InChIKeyUDBFLIWZBIQUAK-NTMALXAHSA-N
MW228.09 g/mol
LogP1.58
Rot. Bonds1

About N-amino-4-bromo-N-methylbenzenecarboximidamide

N-amino-4-bromo-N-methylbenzenecarboximidamide (PubChem CID 68638953) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is N-amino-4-bromo-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-N-methylbenzenecarboximidamide
PubChem CID68638953
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC NameN-amino-4-bromo-N-methylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(Br)cc1)N(C)N
InChIInChI=1S/C8H10BrN3/c1-12(11)8(10)6-2-4-7(9)5-3-6/h2-5,10H,11H2,1H3/b10-8-
InChIKeyUDBFLIWZBIQUAK-NTMALXAHSA-N
XLogP1.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-Bromobenzene-1-carboximidamide
CID 4436571
4-Bromobenzene-1-carboximidamide hydrochloride
CID 12207714
4-Bromo-3-methylbenzene-1-carboximidamide
CID 21341375
1-(4-Bromobenzenecarboximidoyl)pyrrolidine hydroiodide
CID 75481638
5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
CID 752182
[Amino-(4-bromophenyl)methylidene]azanium;chloride
CID 11356795
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
4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 90439651

Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-N-methylbenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-N-methylbenzenecarboximidamide (CID 68638953) is N-amino-4-bromo-N-methylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-N-methylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-N-methylbenzenecarboximidamide is [H]/N=C(/c1ccc(Br)cc1)N(C)N.
What is the InChIKey of N-amino-4-bromo-N-methylbenzenecarboximidamide?
The InChIKey is UDBFLIWZBIQUAK-NTMALXAHSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-12(11)8(10)6-2-4-7(9)5-3-6/h2-5,10H,11H2,1H3/b10-8-.
What are the key properties of N-amino-4-bromo-N-methylbenzenecarboximidamide?
N-amino-4-bromo-N-methylbenzenecarboximidamide has a molecular weight of 228.09 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N-methylbenzenecarboximidamide is sourced from PubChem (CID 68638953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).