1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine

C12H28N2Si — CID 603761

IUPAC1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine
SMILESCCCCN1CCN(CCCC)[Si]1(C)C
InChIInChI=1S/C12H28N2Si/c1-5-7-9-13-11-12-14(10-8-6-2)15(13,3)4/h5-12H2,1-4H3
InChIKeyURNXZVHZUSELTM-UHFFFAOYSA-N
MW228.46 g/mol
LogP2.91
Rot. Bonds6

About 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine

1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine (PubChem CID 603761) has the molecular formula C12H28N2Si and a molecular weight of 228.46 g/mol. Its IUPAC name is 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine.

Molecular Properties

Compound Name1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine
PubChem CID603761
Molecular FormulaC12H28N2Si
Molecular Weight228.46 g/mol
Exact Mass228.20
IUPAC Name1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine
SMILESCCCCN1CCN(CCCC)[Si]1(C)C
InChIInChI=1S/C12H28N2Si/c1-5-7-9-13-11-12-14(10-8-6-2)15(13,3)4/h5-12H2,1-4H3
InChIKeyURNXZVHZUSELTM-UHFFFAOYSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine?
The IUPAC name of 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine (CID 603761) is 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine.
What is the SMILES notation for 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine?
The canonical SMILES for 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine is CCCCN1CCN(CCCC)[Si]1(C)C.
What is the InChIKey of 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine?
The InChIKey is URNXZVHZUSELTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2Si/c1-5-7-9-13-11-12-14(10-8-6-2)15(13,3)4/h5-12H2,1-4H3.
What are the key properties of 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine?
1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine has a molecular weight of 228.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2,2-dimethyl-1,3,2-diazasilolidine is sourced from PubChem (CID 603761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).