N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide

C12H15ClN2 — CID 63178180

IUPACN'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide
SMILESN/C(=N\CCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H15ClN2/c13-11-5-1-9(2-6-11)7-8-15-12(14)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H2,14,15)
InChIKeyHNCYYOFRUZXVQI-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.65
Rot. Bonds4

About N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide

N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide (PubChem CID 63178180) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide
PubChem CID63178180
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide
SMILESN/C(=N\CCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H15ClN2/c13-11-5-1-9(2-6-11)7-8-15-12(14)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H2,14,15)
InChIKeyHNCYYOFRUZXVQI-UHFFFAOYSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.65
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'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide (CID 63178180) is N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide is N/C(=N\CCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide?
The InChIKey is HNCYYOFRUZXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-5-1-9(2-6-11)7-8-15-12(14)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H2,14,15).
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide?
N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide has a molecular weight of 222.72 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63178180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).