N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide

C15H19Cl2N3O — CID 120679856

IUPACN'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
SMILESN/C(=N\C1CC(c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1
InChIInChI=1S/C15H19Cl2N3O/c16-13-2-1-10(9-14(13)17)11-7-12(8-11)19-15(18)20-3-5-21-6-4-20/h1-2,9,11-12H,3-8H2,(H2,18,19)
InChIKeyDPTKQXYLJBVNIN-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.89
Rot. Bonds2

About N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide

N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide (PubChem CID 120679856) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
PubChem CID120679856
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
SMILESN/C(=N\C1CC(c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1
InChIInChI=1S/C15H19Cl2N3O/c16-13-2-1-10(9-14(13)17)11-7-12(8-11)19-15(18)20-3-5-21-6-4-20/h1-2,9,11-12H,3-8H2,(H2,18,19)
InChIKeyDPTKQXYLJBVNIN-UHFFFAOYSA-N
XLogP2.89
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide (CID 120679856) is N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide is N/C(=N\C1CC(c2ccc(Cl)c(Cl)c2)C1)N1CCOCC1.
What is the InChIKey of N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide?
The InChIKey is DPTKQXYLJBVNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-13-2-1-10(9-14(13)17)11-7-12(8-11)19-15(18)20-3-5-21-6-4-20/h1-2,9,11-12H,3-8H2,(H2,18,19).
What are the key properties of N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide?
N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide has a molecular weight of 328.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).