1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide

C12H26IN3O3 — CID 111464935

IUPAC1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCOC1CCOCC1.I
InChIInChI=1S/C12H25N3O3.HI/c1-16-10-6-15-12(13)14-5-2-7-18-11-3-8-17-9-4-11;/h11H,2-10H2,1H3,(H3,13,14,15);1H
InChIKeyGHGUIHUSXWQDPR-UHFFFAOYSA-N
MW387.26 g/mol
LogP0.74
Rot. Bonds8

About 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide (PubChem CID 111464935) has the molecular formula C12H26IN3O3 and a molecular weight of 387.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
PubChem CID111464935
Molecular FormulaC12H26IN3O3
Molecular Weight387.26 g/mol
Exact Mass387.10
IUPAC Name1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCOC1CCOCC1.I
InChIInChI=1S/C12H25N3O3.HI/c1-16-10-6-15-12(13)14-5-2-7-18-11-3-8-17-9-4-11;/h11H,2-10H2,1H3,(H3,13,14,15);1H
InChIKeyGHGUIHUSXWQDPR-UHFFFAOYSA-N
XLogP0.74
TPSA78.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
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

2-[3-(oxan-4-yloxy)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111819463
2-(3-cyclohexyloxypropyl)-1-hexylguanidine;hydroiodide
CID 111035473
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
1-(2-methoxyethyl)-2-(7-methyloctyl)guanidine;hydroiodide
CID 110925122
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[3-(oxan-4-yloxy)propyl]guanidine
CID 111819480
ethyl 4-[[N'-[3-(oxan-4-yloxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111819476
N-ethyl-N'-[3-(oxan-4-yloxy)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770641
1-ethyl-3-(2-methoxyethyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111643487
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111667359
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
2-[3-(2-methylpropoxy)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111035643

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide (CID 111464935) is 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide is COCCN/C(N)=N/CCCOC1CCOCC1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide?
The InChIKey is GHGUIHUSXWQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3.HI/c1-16-10-6-15-12(13)14-5-2-7-18-11-3-8-17-9-4-11;/h11H,2-10H2,1H3,(H3,13,14,15);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide has a molecular weight of 387.26 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).