1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide

C16H29IN4O2 — CID 75423262

IUPAC1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCCOCCN/C(=N\CCCOC)NCCc1cccnc1.I
InChIInChI=1S/C16H28N4O2.HI/c1-3-22-13-11-20-16(18-9-5-12-21-2)19-10-7-15-6-4-8-17-14-15;/h4,6,8,14H,3,5,7,9-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyGVBFPGOBGXTUQU-UHFFFAOYSA-N
MW436.34 g/mol
LogP1.85
Rot. Bonds11

About 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide

1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide (PubChem CID 75423262) has the molecular formula C16H29IN4O2 and a molecular weight of 436.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
PubChem CID75423262
Molecular FormulaC16H29IN4O2
Molecular Weight436.34 g/mol
Exact Mass436.13
IUPAC Name1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCCOCCN/C(=N\CCCOC)NCCc1cccnc1.I
InChIInChI=1S/C16H28N4O2.HI/c1-3-22-13-11-20-16(18-9-5-12-21-2)19-10-7-15-6-4-8-17-14-15;/h4,6,8,14H,3,5,7,9-13H2,1-2H3,(H2,18,19,20);1H
InChIKeyGVBFPGOBGXTUQU-UHFFFAOYSA-N
XLogP1.85
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide (CID 75423262) is 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide is CCOCCN/C(=N\CCCOC)NCCc1cccnc1.I.
What is the InChIKey of 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The InChIKey is GVBFPGOBGXTUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.HI/c1-3-22-13-11-20-16(18-9-5-12-21-2)19-10-7-15-6-4-8-17-14-15;/h4,6,8,14H,3,5,7,9-13H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide has a molecular weight of 436.34 g/mol, XLogP of 1.85, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-(3-methoxypropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 75423262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).