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

C11H23N3O2 — CID 110982699

IUPAC1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCCOCCOC
InChIInChI=1S/C11H23N3O2/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)
InChIKeyJJIGUHUOUSQKOV-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.39
Rot. Bonds9

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

1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine (PubChem CID 110982699) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine
PubChem CID110982699
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCCCOCCOC
InChIInChI=1S/C11H23N3O2/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)
InChIKeyJJIGUHUOUSQKOV-UHFFFAOYSA-N
XLogP0.39
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.39
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': '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?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine (CID 110982699) is 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCCCOCCOC.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine?
The InChIKey is JJIGUHUOUSQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/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).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine?
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-prop-2-enylguanidine has a molecular weight of 229.32 g/mol, XLogP of 0.39, 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 is sourced from PubChem (CID 110982699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).