1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide

C11H26IN3O2 — CID 111222736

IUPAC1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
SMILESCCOCCCN/C(=N/C)NCCOCC.I
InChIInChI=1S/C11H25N3O2.HI/c1-4-15-9-6-7-13-11(12-3)14-8-10-16-5-2;/h4-10H2,1-3H3,(H2,12,13,14);1H
InChIKeyGZXYOAWCKKSLQT-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.23
Rot. Bonds9

About 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide

1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide (PubChem CID 111222736) has the molecular formula C11H26IN3O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
PubChem CID111222736
Molecular FormulaC11H26IN3O2
Molecular Weight359.25 g/mol
Exact Mass359.11
IUPAC Name1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
SMILESCCOCCCN/C(=N/C)NCCOCC.I
InChIInChI=1S/C11H25N3O2.HI/c1-4-15-9-6-7-13-11(12-3)14-8-10-16-5-2;/h4-10H2,1-3H3,(H2,12,13,14);1H
InChIKeyGZXYOAWCKKSLQT-UHFFFAOYSA-N
XLogP1.23
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.23
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-(4-ethoxybutyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895134
1-(3-butoxypropyl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 111239303
1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
1-[2-(cyclopropylmethoxy)ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111763261
1-[2-(2-butoxyethoxy)ethyl]-3-(3-butoxypropyl)-2-methylguanidine;hydroiodide
CID 111499418
1-(2-ethoxyethyl)-3-hexyl-2-methylguanidine
CID 111161505
1-butyl-3-(4-ethoxybutyl)-2-methylguanidine
CID 111151482
1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111769721
1-(3-ethoxypropyl)-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125195
N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111223084
1-(3-ethoxypropyl)-3-(2-ethylsulfonylethyl)-2-methylguanidine
CID 111222081
1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
CID 111895092

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide (CID 111222736) is 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide is CCOCCCN/C(=N/C)NCCOCC.I.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide?
The InChIKey is GZXYOAWCKKSLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2.HI/c1-4-15-9-6-7-13-11(12-3)14-8-10-16-5-2;/h4-10H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide?
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide has a molecular weight of 359.25 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111222736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).