1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine

C11H23N3O — CID 75482203

IUPAC1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
SMILESCCOC1CC(N/C(=N/C)NC)C1(C)C
InChIInChI=1S/C11H23N3O/c1-6-15-9-7-8(11(9,2)3)14-10(12-4)13-5/h8-9H,6-7H2,1-5H3,(H2,12,13,14)
InChIKeySFPQJUMYMNUOJD-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine

1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine (PubChem CID 75482203) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
PubChem CID75482203
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
SMILESCCOC1CC(N/C(=N/C)NC)C1(C)C
InChIInChI=1S/C11H23N3O/c1-6-15-9-7-8(11(9,2)3)14-10(12-4)13-5/h8-9H,6-7H2,1-5H3,(H2,12,13,14)
InChIKeySFPQJUMYMNUOJD-UHFFFAOYSA-N
XLogP0.98
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine (CID 75482203) is 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine is CCOC1CC(N/C(=N/C)NC)C1(C)C.
What is the InChIKey of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine?
The InChIKey is SFPQJUMYMNUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-6-15-9-7-8(11(9,2)3)14-10(12-4)13-5/h8-9H,6-7H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine?
1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine has a molecular weight of 213.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine is sourced from PubChem (CID 75482203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).