1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide

C19H27IN4O2 — CID 111061060

IUPAC1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
SMILESCN(C)C(=NCc1ccc(OCCOc2ccccc2)nc1)N(C)C.I
InChIInChI=1S/C19H26N4O2.HI/c1-22(2)19(23(3)4)21-15-16-10-11-18(20-14-16)25-13-12-24-17-8-6-5-7-9-17;/h5-11,14H,12-13,15H2,1-4H3;1H
InChIKeyJHVJZQQOVFTGNU-UHFFFAOYSA-N
MW470.36 g/mol
LogP3.14
Rot. Bonds7

About 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide (PubChem CID 111061060) has the molecular formula C19H27IN4O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
PubChem CID111061060
Molecular FormulaC19H27IN4O2
Molecular Weight470.36 g/mol
Exact Mass470.12
IUPAC Name1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
SMILESCN(C)C(=NCc1ccc(OCCOc2ccccc2)nc1)N(C)C.I
InChIInChI=1S/C19H26N4O2.HI/c1-22(2)19(23(3)4)21-15-16-10-11-18(20-14-16)25-13-12-24-17-8-6-5-7-9-17;/h5-11,14H,12-13,15H2,1-4H3;1H
InChIKeyJHVJZQQOVFTGNU-UHFFFAOYSA-N
XLogP3.14
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
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 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide (CID 111061060) is 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide is CN(C)C(=NCc1ccc(OCCOc2ccccc2)nc1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The InChIKey is JHVJZQQOVFTGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.HI/c1-22(2)19(23(3)4)21-15-16-10-11-18(20-14-16)25-13-12-24-17-8-6-5-7-9-17;/h5-11,14H,12-13,15H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide has a molecular weight of 470.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111061060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).