1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide

C11H25IN4O — CID 75494016

IUPAC1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCC1CCCN1CCOC.I
InChIInChI=1S/C11H24N4O.HI/c1-12-11(13-2)14-9-10-5-4-6-15(10)7-8-16-3;/h10H,4-9H2,1-3H3,(H2,12,13,14);1H
InChIKeyODTBTFUHYNJOPX-UHFFFAOYSA-N
MW356.25 g/mol
LogP0.51
Rot. Bonds5

About 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide

1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 75494016) has the molecular formula C11H25IN4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID75494016
Molecular FormulaC11H25IN4O
Molecular Weight356.25 g/mol
Exact Mass356.11
IUPAC Name1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCC1CCCN1CCOC.I
InChIInChI=1S/C11H24N4O.HI/c1-12-11(13-2)14-9-10-5-4-6-15(10)7-8-16-3;/h10H,4-9H2,1-3H3,(H2,12,13,14);1H
InChIKeyODTBTFUHYNJOPX-UHFFFAOYSA-N
XLogP0.51
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide (CID 75494016) is 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCC1CCCN1CCOC.I.
What is the InChIKey of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is ODTBTFUHYNJOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-12-11(13-2)14-9-10-5-4-6-15(10)7-8-16-3;/h10H,4-9H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide?
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 75494016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).