2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C15H26IN3O2 — CID 111044459

IUPAC2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOc1ccc(OC)c(CCN=C(N(C)C)N(C)C)c1.I
InChIInChI=1S/C15H25N3O2.HI/c1-17(2)15(18(3)4)16-10-9-12-11-13(19-5)7-8-14(12)20-6;/h7-8,11H,9-10H2,1-6H3;1H
InChIKeyUHZOMAXTXGZCAR-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111044459) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111044459
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCOc1ccc(OC)c(CCN=C(N(C)C)N(C)C)c1.I
InChIInChI=1S/C15H25N3O2.HI/c1-17(2)15(18(3)4)16-10-9-12-11-13(19-5)7-8-14(12)20-6;/h7-8,11H,9-10H2,1-6H3;1H
InChIKeyUHZOMAXTXGZCAR-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
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 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111044459) is 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is COc1ccc(OC)c(CCN=C(N(C)C)N(C)C)c1.I.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is UHZOMAXTXGZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.HI/c1-17(2)15(18(3)4)16-10-9-12-11-13(19-5)7-8-14(12)20-6;/h7-8,11H,9-10H2,1-6H3;1H.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111044459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).