1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide

C19H33IN4O — CID 109390749

IUPAC1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCOC1CC(N/C(=N/C)NCc2ncccc2C)C1(CC)CC.I
InChIInChI=1S/C19H32N4O.HI/c1-6-19(7-2)16(12-17(19)24-8-3)23-18(20-5)22-13-15-14(4)10-9-11-21-15;/h9-11,16-17H,6-8,12-13H2,1-5H3,(H2,20,22,23);1H
InChIKeyLTKIJUALZDFIKY-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.66
Rot. Bonds7

About 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide

1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 109390749) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID109390749
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCOC1CC(N/C(=N/C)NCc2ncccc2C)C1(CC)CC.I
InChIInChI=1S/C19H32N4O.HI/c1-6-19(7-2)16(12-17(19)24-8-3)23-18(20-5)22-13-15-14(4)10-9-11-21-15;/h9-11,16-17H,6-8,12-13H2,1-5H3,(H2,20,22,23);1H
InChIKeyLTKIJUALZDFIKY-UHFFFAOYSA-N
XLogP3.66
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.66
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-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide (CID 109390749) is 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide is CCOC1CC(N/C(=N/C)NCc2ncccc2C)C1(CC)CC.I.
What is the InChIKey of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is LTKIJUALZDFIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-6-19(7-2)16(12-17(19)24-8-3)23-18(20-5)22-13-15-14(4)10-9-11-21-15;/h9-11,16-17H,6-8,12-13H2,1-5H3,(H2,20,22,23);1H.
What are the key properties of 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-diethylcyclobutyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109390749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).