1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide

C11H25N2OP — CID 158158962

IUPAC1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCC(C)(C)N1CCN(C(C)(C)C)P1(C)=O
InChIInChI=1S/C11H25N2OP/c1-10(2,3)12-8-9-13(11(4,5)6)15(12,7)14/h8-9H2,1-7H3
InChIKeyNUYWCHFGVOQREN-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.02
Rot. Bonds

About 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide

1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 158158962) has the molecular formula C11H25N2OP and a molecular weight of 232.31 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID158158962
Molecular FormulaC11H25N2OP
Molecular Weight232.31 g/mol
Exact Mass232.17
IUPAC Name1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCC(C)(C)N1CCN(C(C)(C)C)P1(C)=O
InChIInChI=1S/C11H25N2OP/c1-10(2,3)12-8-9-13(11(4,5)6)15(12,7)14/h8-9H2,1-7H3
InChIKeyNUYWCHFGVOQREN-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide 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 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 158158962) is 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide is CC(C)(C)N1CCN(C(C)(C)C)P1(C)=O.
What is the InChIKey of 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is NUYWCHFGVOQREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2OP/c1-10(2,3)12-8-9-13(11(4,5)6)15(12,7)14/h8-9H2,1-7H3.
What are the key properties of 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 232.31 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 158158962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).