1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine

C15H27N3O — CID 109394409

IUPAC1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
SMILESCN(C)C(=NC1C2CCOC2C12CCCC2)N(C)C
InChIInChI=1S/C15H27N3O/c1-17(2)14(18(3)4)16-12-11-7-10-19-13(11)15(12)8-5-6-9-15/h11-13H,5-10H2,1-4H3
InChIKeyBDMWEAGKVCJLAU-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.81
Rot. Bonds1

About 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine

1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine (PubChem CID 109394409) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
PubChem CID109394409
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
SMILESCN(C)C(=NC1C2CCOC2C12CCCC2)N(C)C
InChIInChI=1S/C15H27N3O/c1-17(2)14(18(3)4)16-12-11-7-10-19-13(11)15(12)8-5-6-9-15/h11-13H,5-10H2,1-4H3
InChIKeyBDMWEAGKVCJLAU-UHFFFAOYSA-N
XLogP1.81
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.81
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 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine (CID 109394409) is 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine is CN(C)C(=NC1C2CCOC2C12CCCC2)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
The InChIKey is BDMWEAGKVCJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(2)14(18(3)4)16-12-11-7-10-19-13(11)15(12)8-5-6-9-15/h11-13H,5-10H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine has a molecular weight of 265.40 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine is sourced from PubChem (CID 109394409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).