N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide

C16H26IN3O2 — CID 56801703

IUPACN'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCOCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H25N3O2.HI/c17-16(19-9-13-21-14-10-19)18-8-4-11-20-12-7-15-5-2-1-3-6-15;/h1-3,5-6H,4,7-14H2,(H2,17,18);1H
InChIKeyYUZJMENGXBVSBQ-UHFFFAOYSA-N
MW419.31 g/mol
LogP1.90
Rot. Bonds7

About N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide

N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 56801703) has the molecular formula C16H26IN3O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID56801703
Molecular FormulaC16H26IN3O2
Molecular Weight419.31 g/mol
Exact Mass419.11
IUPAC NameN'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCOCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H25N3O2.HI/c17-16(19-9-13-21-14-10-19)18-8-4-11-20-12-7-15-5-2-1-3-6-15;/h1-3,5-6H,4,7-14H2,(H2,17,18);1H
InChIKeyYUZJMENGXBVSBQ-UHFFFAOYSA-N
XLogP1.90
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111807931
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
N'-[3-(4-chlorophenyl)propyl]morpholine-4-carboximidamide
CID 100674114
N'-[3-(4-methoxyphenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111079416
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
ethyl 4-[[N'-[3-(2-phenylethoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111074326
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018535
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide (CID 56801703) is N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCOCCc1ccccc1)N1CCOCC1.
What is the InChIKey of N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is YUZJMENGXBVSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.HI/c17-16(19-9-13-21-14-10-19)18-8-4-11-20-12-7-15-5-2-1-3-6-15;/h1-3,5-6H,4,7-14H2,(H2,17,18);1H.
What are the key properties of N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 419.31 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 56801703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).