1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

C11H24IN3O2 — CID 110982698

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCCOCCOC.I
InChIInChI=1S/C11H23N3O2.HI/c1-4-6-13-11(12-2)14-7-5-8-16-10-9-15-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H
InChIKeyTVABXPORVZTGFS-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.01
Rot. Bonds9

About 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110982698) has the molecular formula C11H24IN3O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110982698
Molecular FormulaC11H24IN3O2
Molecular Weight357.24 g/mol
Exact Mass357.09
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCCCOCCOC.I
InChIInChI=1S/C11H23N3O2.HI/c1-4-6-13-11(12-2)14-7-5-8-16-10-9-15-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H
InChIKeyTVABXPORVZTGFS-UHFFFAOYSA-N
XLogP1.01
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 110982698) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCCCOCCOC.I.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is TVABXPORVZTGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.HI/c1-4-6-13-11(12-2)14-7-5-8-16-10-9-15-3;/h4H,1,5-10H2,2-3H3,(H2,12,13,14);1H.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 357.24 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110982698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).