N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide

C15H21ClIN3O — CID 120663261

IUPACN'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC(c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C15H20ClN3O.HI/c16-13-3-1-11(2-4-13)12-9-14(10-12)18-15(17)19-5-7-20-8-6-19;/h1-4,12,14H,5-10H2,(H2,17,18);1H
InChIKeyDGQHSYIGAQNNRU-UHFFFAOYSA-N
MW421.71 g/mol
LogP2.85
Rot. Bonds2

About N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide

N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120663261) has the molecular formula C15H21ClIN3O and a molecular weight of 421.71 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120663261
Molecular FormulaC15H21ClIN3O
Molecular Weight421.71 g/mol
Exact Mass421.04
IUPAC NameN'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CC(c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C15H20ClN3O.HI/c16-13-3-1-11(2-4-13)12-9-14(10-12)18-15(17)19-5-7-20-8-6-19;/h1-4,12,14H,5-10H2,(H2,17,18);1H
InChIKeyDGQHSYIGAQNNRU-UHFFFAOYSA-N
XLogP2.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.71
LogP ≤ 52.85
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120679856
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120762833
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120671720
N'-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]thiomorpholine-4-carboximidamide
CID 120671536
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762820
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
CID 99849055
N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide (CID 120663261) is N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\C1CC(c2ccc(Cl)cc2)C1)N1CCOCC1.
What is the InChIKey of N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is DGQHSYIGAQNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O.HI/c16-13-3-1-11(2-4-13)12-9-14(10-12)18-15(17)19-5-7-20-8-6-19;/h1-4,12,14H,5-10H2,(H2,17,18);1H.
What are the key properties of N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 421.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120663261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).