1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide

C10H25IN4O — CID 110927292

IUPAC1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCN(C)CCOC.I
InChIInChI=1S/C10H24N4O.HI/c1-11-10(12-2)13-6-5-7-14(3)8-9-15-4;/h5-9H2,1-4H3,(H2,11,12,13);1H
InChIKeyRAOMKUCSMDQSJA-UHFFFAOYSA-N
MW344.24 g/mol
LogP0.37
Rot. Bonds7

About 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide

1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110927292) has the molecular formula C10H25IN4O and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110927292
Molecular FormulaC10H25IN4O
Molecular Weight344.24 g/mol
Exact Mass344.11
IUPAC Name1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCCCN(C)CCOC.I
InChIInChI=1S/C10H24N4O.HI/c1-11-10(12-2)13-6-5-7-14(3)8-9-15-4;/h5-9H2,1-4H3,(H2,11,12,13);1H
InChIKeyRAOMKUCSMDQSJA-UHFFFAOYSA-N
XLogP0.37
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
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-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974894
1-[3-[di(propan-2-yl)amino]propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691909
1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111161319
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650910
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943140
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225380
1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111170160
1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111221933
1-[3-(N-ethylanilino)propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111389852
1-(3-cyclohexyloxypropyl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111396927
1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410001
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652347

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide (CID 110927292) is 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCCCN(C)CCOC.I.
What is the InChIKey of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is RAOMKUCSMDQSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O.HI/c1-11-10(12-2)13-6-5-7-14(3)8-9-15-4;/h5-9H2,1-4H3,(H2,11,12,13);1H.
What are the key properties of 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide?
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 344.24 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110927292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).