2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine

C12H25N3O — CID 122081780

IUPAC2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
SMILESCOC1CC(N=C(N(C)C)N(C)C)C1(C)C
InChIInChI=1S/C12H25N3O/c1-12(2)9(8-10(12)16-7)13-11(14(3)4)15(5)6/h9-10H,8H2,1-7H3
InChIKeyBRUCENBISKCCJT-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.28
Rot. Bonds2

About 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine

2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine (PubChem CID 122081780) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
PubChem CID122081780
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
SMILESCOC1CC(N=C(N(C)C)N(C)C)C1(C)C
InChIInChI=1S/C12H25N3O/c1-12(2)9(8-10(12)16-7)13-11(14(3)4)15(5)6/h9-10H,8H2,1-7H3
InChIKeyBRUCENBISKCCJT-UHFFFAOYSA-N
XLogP1.28
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.28
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine (CID 122081780) is 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine is COC1CC(N=C(N(C)C)N(C)C)C1(C)C.
What is the InChIKey of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is BRUCENBISKCCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2)9(8-10(12)16-7)13-11(14(3)4)15(5)6/h9-10H,8H2,1-7H3.
What are the key properties of 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine?
2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 227.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 122081780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).