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

C9H19N3O2 — CID 86790886

IUPAC1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCC1(C)OCCO1
InChIInChI=1S/C9H19N3O2/c1-9(13-6-7-14-9)4-5-12-8(10-2)11-3/h4-7H2,1-3H3,(H2,10,11,12)
InChIKeyXWOZPGQBKONUKQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.07
Rot. Bonds3

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

1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine (PubChem CID 86790886) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
PubChem CID86790886
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\NC)NCCC1(C)OCCO1
InChIInChI=1S/C9H19N3O2/c1-9(13-6-7-14-9)4-5-12-8(10-2)11-3/h4-7H2,1-3H3,(H2,10,11,12)
InChIKeyXWOZPGQBKONUKQ-UHFFFAOYSA-N
XLogP-0.07
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.07
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'}

Analyze 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine 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 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine (CID 86790886) is 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine is C/N=C(\NC)NCCC1(C)OCCO1.
What is the InChIKey of 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
The InChIKey is XWOZPGQBKONUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(13-6-7-14-9)4-5-12-8(10-2)11-3/h4-7H2,1-3H3,(H2,10,11,12).
What are the key properties of 1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine?
1,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine has a molecular weight of 201.27 g/mol, XLogP of -0.07, 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 is sourced from PubChem (CID 86790886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).