N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide

C14H19BrN2 — CID 63175680

IUPACN'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide
SMILESCc1ccc(Br)cc1/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H19BrN2/c1-10-7-8-12(15)9-13(10)17-14(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17)
InChIKeyXWHRONYTIWARHP-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.33
Rot. Bonds2

About N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide

N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide (PubChem CID 63175680) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide
PubChem CID63175680
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC NameN'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide
SMILESCc1ccc(Br)cc1/N=C(\N)C1CCCCC1
InChIInChI=1S/C14H19BrN2/c1-10-7-8-12(15)9-13(10)17-14(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17)
InChIKeyXWHRONYTIWARHP-UHFFFAOYSA-N
XLogP4.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide (CID 63175680) is N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide is Cc1ccc(Br)cc1/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide?
The InChIKey is XWHRONYTIWARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-10-7-8-12(15)9-13(10)17-14(16)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17).
What are the key properties of N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide?
N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide has a molecular weight of 295.22 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methylphenyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63175680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).