N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide

C11H13BrN2 — CID 107579403

IUPACN'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide
SMILESCc1cc(Br)cc(/N=C(\N)C2CC2)c1
InChIInChI=1S/C11H13BrN2/c1-7-4-9(12)6-10(5-7)14-11(13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,14)
InChIKeyFEJDPNZTUNKJFX-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.16
Rot. Bonds2

About N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide

N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide (PubChem CID 107579403) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide
PubChem CID107579403
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC NameN'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide
SMILESCc1cc(Br)cc(/N=C(\N)C2CC2)c1
InChIInChI=1S/C11H13BrN2/c1-7-4-9(12)6-10(5-7)14-11(13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,14)
InChIKeyFEJDPNZTUNKJFX-UHFFFAOYSA-N
XLogP3.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.16
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'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide (CID 107579403) is N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide is Cc1cc(Br)cc(/N=C(\N)C2CC2)c1.
What is the InChIKey of N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide?
The InChIKey is FEJDPNZTUNKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7-4-9(12)6-10(5-7)14-11(13)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,14).
What are the key properties of N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide?
N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide has a molecular weight of 253.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-methylphenyl)cyclopropanecarboximidamide is sourced from PubChem (CID 107579403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).