tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate

C15H32N2O2Si — CID 11808760

IUPACtert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate
SMILESCC(C)N1CCC([Si](C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H32N2O2Si/c1-12(2)16-10-9-13(20(6,7)8)17(11-16)14(18)19-15(3,4)5/h12-13H,9-11H2,1-8H3
InChIKeyXVPFNPLHNXYCHA-UHFFFAOYSA-N
MW300.52 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate

tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate (PubChem CID 11808760) has the molecular formula C15H32N2O2Si and a molecular weight of 300.52 g/mol. Its IUPAC name is tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate
PubChem CID11808760
Molecular FormulaC15H32N2O2Si
Molecular Weight300.52 g/mol
Exact Mass300.22
IUPAC Nametert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate
SMILESCC(C)N1CCC([Si](C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H32N2O2Si/c1-12(2)16-10-9-13(20(6,7)8)17(11-16)14(18)19-15(3,4)5/h12-13H,9-11H2,1-8H3
InChIKeyXVPFNPLHNXYCHA-UHFFFAOYSA-N
XLogP3.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate?
The IUPAC name of tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate (CID 11808760) is tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate?
The canonical SMILES for tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate is CC(C)N1CCC([Si](C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate?
The InChIKey is XVPFNPLHNXYCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2Si/c1-12(2)16-10-9-13(20(6,7)8)17(11-16)14(18)19-15(3,4)5/h12-13H,9-11H2,1-8H3.
What are the key properties of tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate?
tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate has a molecular weight of 300.52 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-propan-2-yl-6-trimethylsilyl-1,3-diazinane-1-carboxylate is sourced from PubChem (CID 11808760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).