5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide

C11H16BrN3 — CID 114892861

IUPAC5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(C)CCC
InChIInChI=1S/C11H16BrN3/c1-3-6-15(2)10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,3,6H2,1-2H3,(H3,13,14)
InChIKeyFDRMEJLHOLEPOT-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds4

About 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide

5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 114892861) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID114892861
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(C)CCC
InChIInChI=1S/C11H16BrN3/c1-3-6-15(2)10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,3,6H2,1-2H3,(H3,13,14)
InChIKeyFDRMEJLHOLEPOT-UHFFFAOYSA-N
XLogP2.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
5-bromo-2-[methyl(propyl)amino]benzenecarbothioamide
CID 114891329
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 114892900
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754
5-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 114893089
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904389
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide (CID 114892861) is 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N(C)CCC.
What is the InChIKey of 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is FDRMEJLHOLEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-3-6-15(2)10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,3,6H2,1-2H3,(H3,13,14).
What are the key properties of 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide?
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 270.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 114892861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).