1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine

C8H17N3O — CID 164658994

IUPAC1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1CC1(C)OC
InChIInChI=1S/C8H17N3O/c1-8(12-4)5-6(8)11-7(9-2)10-3/h6H,5H2,1-4H3,(H2,9,10,11)
InChIKeyFIZYZVGUGAEKAJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds2

About 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine

1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine (PubChem CID 164658994) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine
PubChem CID164658994
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC1CC1(C)OC
InChIInChI=1S/C8H17N3O/c1-8(12-4)5-6(8)11-7(9-2)10-3/h6H,5H2,1-4H3,(H2,9,10,11)
InChIKeyFIZYZVGUGAEKAJ-UHFFFAOYSA-N
XLogP-0.04
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine 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-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine (CID 164658994) is 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine is C/N=C(\NC)NC1CC1(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine?
The InChIKey is FIZYZVGUGAEKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(12-4)5-6(8)11-7(9-2)10-3/h6H,5H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine?
1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine has a molecular weight of 171.24 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylcyclopropyl)-2,3-dimethylguanidine is sourced from PubChem (CID 164658994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).