5-bromo-2-(dibutylamino)benzenecarboximidamide

C15H24BrN3 — CID 114892850

IUPAC5-bromo-2-(dibutylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(CCCC)CCCC
InChIInChI=1S/C15H24BrN3/c1-3-5-9-19(10-6-4-2)14-8-7-12(16)11-13(14)15(17)18/h7-8,11H,3-6,9-10H2,1-2H3,(H3,17,18)
InChIKeyGMUAWTVCQNMWBK-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.14
Rot. Bonds8

About 5-bromo-2-(dibutylamino)benzenecarboximidamide

5-bromo-2-(dibutylamino)benzenecarboximidamide (PubChem CID 114892850) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-2-(dibutylamino)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(dibutylamino)benzenecarboximidamide
PubChem CID114892850
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-2-(dibutylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(CCCC)CCCC
InChIInChI=1S/C15H24BrN3/c1-3-5-9-19(10-6-4-2)14-8-7-12(16)11-13(14)15(17)18/h7-8,11H,3-6,9-10H2,1-2H3,(H3,17,18)
InChIKeyGMUAWTVCQNMWBK-UHFFFAOYSA-N
XLogP4.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.14
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-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
5-bromo-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 114893089
1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
CID 82966709
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
4-bromo-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904511
2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
4-[butyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 54933264
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dibutylamino)benzenecarboximidamide?
The IUPAC name of 5-bromo-2-(dibutylamino)benzenecarboximidamide (CID 114892850) is 5-bromo-2-(dibutylamino)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(dibutylamino)benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(dibutylamino)benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N(CCCC)CCCC.
What is the InChIKey of 5-bromo-2-(dibutylamino)benzenecarboximidamide?
The InChIKey is GMUAWTVCQNMWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-5-9-19(10-6-4-2)14-8-7-12(16)11-13(14)15(17)18/h7-8,11H,3-6,9-10H2,1-2H3,(H3,17,18).
What are the key properties of 5-bromo-2-(dibutylamino)benzenecarboximidamide?
5-bromo-2-(dibutylamino)benzenecarboximidamide has a molecular weight of 326.28 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dibutylamino)benzenecarboximidamide is sourced from PubChem (CID 114892850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).