3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide

C13H17BrN2O — CID 56668748

IUPAC3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\C1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O/c14-11-6-4-5-10(9-11)13(16-17)15-12-7-2-1-3-8-12/h4-6,9,12,17H,1-3,7-8H2,(H,15,16)
InChIKeyYYDKXCXWGAWFIC-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.51
Rot. Bonds2

About 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide

3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide (PubChem CID 56668748) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide
PubChem CID56668748
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide
SMILESON/C(=N\C1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O/c14-11-6-4-5-10(9-11)13(16-17)15-12-7-2-1-3-8-12/h4-6,9,12,17H,1-3,7-8H2,(H,15,16)
InChIKeyYYDKXCXWGAWFIC-UHFFFAOYSA-N
XLogP3.51
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide (CID 56668748) is 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide is ON/C(=N\C1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide?
The InChIKey is YYDKXCXWGAWFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-6-4-5-10(9-11)13(16-17)15-12-7-2-1-3-8-12/h4-6,9,12,17H,1-3,7-8H2,(H,15,16).
What are the key properties of 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide?
3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide has a molecular weight of 297.20 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-cyclohexyl-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 56668748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).