N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide

C15H24IN3O3 — CID 111079416

IUPACN'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccc(OCCC/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C15H23N3O3.HI/c1-19-13-3-5-14(6-4-13)21-10-2-7-17-15(16)18-8-11-20-12-9-18;/h3-6H,2,7-12H2,1H3,(H2,16,17);1H
InChIKeyKYGFHVNGTYLOGQ-UHFFFAOYSA-N
MW421.28 g/mol
LogP1.73
Rot. Bonds6

About N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide

N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111079416) has the molecular formula C15H24IN3O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111079416
Molecular FormulaC15H24IN3O3
Molecular Weight421.28 g/mol
Exact Mass421.09
IUPAC NameN'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccc(OCCC/N=C(\N)N2CCOCC2)cc1.I
InChIInChI=1S/C15H23N3O3.HI/c1-19-13-3-5-14(6-4-13)21-10-2-7-17-15(16)18-8-11-20-12-9-18;/h3-6H,2,7-12H2,1H3,(H2,16,17);1H
InChIKeyKYGFHVNGTYLOGQ-UHFFFAOYSA-N
XLogP1.73
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-[2-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111071957
tert-butyl 4-[N'-[3-(4-methoxyphenoxy)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111079463
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
1-[2-(4-methoxyphenoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111036224
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111806509
N'-[3-(3,5-dimethoxyphenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111975623
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935415
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[4-(4-methoxyphenyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111975504
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide (CID 111079416) is N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide is COc1ccc(OCCC/N=C(\N)N2CCOCC2)cc1.I.
What is the InChIKey of N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is KYGFHVNGTYLOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.HI/c1-19-13-3-5-14(6-4-13)21-10-2-7-17-15(16)18-8-11-20-12-9-18;/h3-6H,2,7-12H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 421.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111079416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).