1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide

C11H24IN3O — CID 119118920

IUPAC1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide
SMILESCN(C)C(=NCC1CCOCC1)N(C)C.I
InChIInChI=1S/C11H23N3O.HI/c1-13(2)11(14(3)4)12-9-10-5-7-15-8-6-10;/h10H,5-9H2,1-4H3;1H
InChIKeyPFLCHPHWXFMWIZ-UHFFFAOYSA-N
MW341.24 g/mol
LogP1.51
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide

1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide (PubChem CID 119118920) has the molecular formula C11H24IN3O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide
PubChem CID119118920
Molecular FormulaC11H24IN3O
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC Name1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide
SMILESCN(C)C(=NCC1CCOCC1)N(C)C.I
InChIInChI=1S/C11H23N3O.HI/c1-13(2)11(14(3)4)12-9-10-5-7-15-8-6-10;/h10H,5-9H2,1-4H3;1H
InChIKeyPFLCHPHWXFMWIZ-UHFFFAOYSA-N
XLogP1.51
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide (CID 119118920) is 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide is CN(C)C(=NCC1CCOCC1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is PFLCHPHWXFMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.HI/c1-13(2)11(14(3)4)12-9-10-5-7-15-8-6-10;/h10H,5-9H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 341.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(oxan-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119118920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).