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

C18H25Cl2N3O — CID 11726616

IUPACN-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide
SMILESClc1ccc(C/N=C(\NC2CCCCC2)N2CCOCC2)cc1Cl
InChIInChI=1S/C18H25Cl2N3O/c19-16-7-6-14(12-17(16)20)13-21-18(23-8-10-24-11-9-23)22-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,22)
InChIKeyXYAICPOYISESNY-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.10
Rot. Bonds3

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

N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide (PubChem CID 11726616) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide
PubChem CID11726616
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC NameN-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide
SMILESClc1ccc(C/N=C(\NC2CCCCC2)N2CCOCC2)cc1Cl
InChIInChI=1S/C18H25Cl2N3O/c19-16-7-6-14(12-17(16)20)13-21-18(23-8-10-24-11-9-23)22-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,22)
InChIKeyXYAICPOYISESNY-UHFFFAOYSA-N
XLogP4.10
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.10
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'}

Analyze N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide (CID 11726616) is N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide is Clc1ccc(C/N=C(\NC2CCCCC2)N2CCOCC2)cc1Cl.
What is the InChIKey of N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide?
The InChIKey is XYAICPOYISESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O/c19-16-7-6-14(12-17(16)20)13-21-18(23-8-10-24-11-9-23)22-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,21,22).
What are the key properties of N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide?
N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide has a molecular weight of 370.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[(3,4-dichlorophenyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 11726616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).