N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide

C16H26IN3O4 — CID 111806509

IUPACN'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1cc(OC)c(CC/N=C(\N)N2CCOCC2)c(OC)c1.I
InChIInChI=1S/C16H25N3O4.HI/c1-20-12-10-14(21-2)13(15(11-12)22-3)4-5-18-16(17)19-6-8-23-9-7-19;/h10-11H,4-9H2,1-3H3,(H2,17,18);1H
InChIKeyFPGKVCCUDKCGFK-UHFFFAOYSA-N
MW451.31 g/mol
LogP1.52
Rot. Bonds6

About N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111806509) has the molecular formula C16H26IN3O4 and a molecular weight of 451.31 g/mol. Its IUPAC name is N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111806509
Molecular FormulaC16H26IN3O4
Molecular Weight451.31 g/mol
Exact Mass451.10
IUPAC NameN'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1cc(OC)c(CC/N=C(\N)N2CCOCC2)c(OC)c1.I
InChIInChI=1S/C16H25N3O4.HI/c1-20-12-10-14(21-2)13(15(11-12)22-3)4-5-18-16(17)19-6-8-23-9-7-19;/h10-11H,4-9H2,1-3H3,(H2,17,18);1H
InChIKeyFPGKVCCUDKCGFK-UHFFFAOYSA-N
XLogP1.52
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[2-(2,4,6-trimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806545
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
1-tert-butyl-2-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806571
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
N'-[2-(3,5-dimethylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111078515
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111078968
N'-[2-(2,5-dimethoxyphenyl)ethyl]thiomorpholine-4-carboximidamide
CID 111044480
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
N'-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111101726
methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111063808
2-propyl-1-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111806555

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111806509) is N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide is COc1cc(OC)c(CC/N=C(\N)N2CCOCC2)c(OC)c1.I.
What is the InChIKey of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is FPGKVCCUDKCGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4.HI/c1-20-12-10-14(21-2)13(15(11-12)22-3)4-5-18-16(17)19-6-8-23-9-7-19;/h10-11H,4-9H2,1-3H3,(H2,17,18);1H.
What are the key properties of N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 451.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4,6-trimethoxyphenyl)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111806509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).