1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide

C9H20IN3O2 — CID 86790885

IUPAC1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NC)NCCC1(C)OCCO1.I
InChIInChI=1S/C9H19N3O2.HI/c1-9(13-6-7-14-9)4-5-12-8(10-2)11-3;/h4-7H2,1-3H3,(H2,10,11,12);1H
InChIKeySOLXPSDGRFVKSN-UHFFFAOYSA-N
MW329.18 g/mol
LogP0.55
Rot. Bonds3

About 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide

1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 86790885) has the molecular formula C9H20IN3O2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID86790885
Molecular FormulaC9H20IN3O2
Molecular Weight329.18 g/mol
Exact Mass329.06
IUPAC Name1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NC)NCCC1(C)OCCO1.I
InChIInChI=1S/C9H19N3O2.HI/c1-9(13-6-7-14-9)4-5-12-8(10-2)11-3;/h4-7H2,1-3H3,(H2,10,11,12);1H
InChIKeySOLXPSDGRFVKSN-UHFFFAOYSA-N
XLogP0.55
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 50.55
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 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide (CID 86790885) is 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is C/N=C(\NC)NCCC1(C)OCCO1.I.
What is the InChIKey of 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is SOLXPSDGRFVKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.HI/c1-9(13-6-7-14-9)4-5-12-8(10-2)11-3;/h4-7H2,1-3H3,(H2,10,11,12);1H.
What are the key properties of 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide?
1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 329.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 86790885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).