2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide

C11H26IN3O2 — CID 110940605

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCC)NCCOC.I
InChIInChI=1S/C11H25N3O2.HI/c1-4-12-11(14-8-10-15-3)13-7-6-9-16-5-2;/h4-10H2,1-3H3,(H2,12,13,14);1H
InChIKeyLEAUVNLULIGFEY-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.23
Rot. Bonds9

About 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide

2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110940605) has the molecular formula C11H26IN3O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110940605
Molecular FormulaC11H26IN3O2
Molecular Weight359.25 g/mol
Exact Mass359.11
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCC)NCCOC.I
InChIInChI=1S/C11H25N3O2.HI/c1-4-12-11(14-8-10-15-3)13-7-6-9-16-5-2;/h4-10H2,1-3H3,(H2,12,13,14);1H
InChIKeyLEAUVNLULIGFEY-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-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
N-[3-[[(3-ethoxypropylamino)-(2-methoxyethylamino)methylidene]amino]propyl]acetamide;hydroiodide
CID 75532521
1-(2-ethoxyethyl)-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111894382
1-ethyl-3-(2-methoxyethyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111643487
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
CID 111224259
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
methyl 5-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111895746

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide (CID 110940605) is 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide is CCN/C(=N\CCCOCC)NCCOC.I.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is LEAUVNLULIGFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2.HI/c1-4-12-11(14-8-10-15-3)13-7-6-9-16-5-2;/h4-10H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide?
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;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 2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110940605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).