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

C13H17BrN2 — CID 63175617

IUPACN'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
SMILESCc1ccc(Br)cc1/N=C(\N)C1CCCC1
InChIInChI=1S/C13H17BrN2/c1-9-6-7-11(14)8-12(9)16-13(15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,15,16)
InChIKeyIKXZHEUQPHKYFE-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.94
Rot. Bonds2

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

N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide (PubChem CID 63175617) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
PubChem CID63175617
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC NameN'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
SMILESCc1ccc(Br)cc1/N=C(\N)C1CCCC1
InChIInChI=1S/C13H17BrN2/c1-9-6-7-11(14)8-12(9)16-13(15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,15,16)
InChIKeyIKXZHEUQPHKYFE-UHFFFAOYSA-N
XLogP3.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.94
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)cyclopentanecarboximidamide?
The IUPAC name of N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide (CID 63175617) is N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide is Cc1ccc(Br)cc1/N=C(\N)C1CCCC1.
What is the InChIKey of N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide?
The InChIKey is IKXZHEUQPHKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9-6-7-11(14)8-12(9)16-13(15)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,15,16).
What are the key properties of N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide?
N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide has a molecular weight of 281.20 g/mol, XLogP of 3.94, 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)cyclopentanecarboximidamide is sourced from PubChem (CID 63175617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).