1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine

C12H29NO3Si3 — CID 174979365

IUPAC1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine
SMILESCNC[Si]1(C)O[Si](C)(C)O[Si](C)(C2CCCCC2)O1
InChIInChI=1S/C12H29NO3Si3/c1-13-11-18(4)14-17(2,3)15-19(5,16-18)12-9-7-6-8-10-12/h12-13H,6-11H2,1-5H3
InChIKeyULDCNEUSSMFVGS-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine

1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine (PubChem CID 174979365) has the molecular formula C12H29NO3Si3 and a molecular weight of 319.63 g/mol. Its IUPAC name is 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine
PubChem CID174979365
Molecular FormulaC12H29NO3Si3
Molecular Weight319.63 g/mol
Exact Mass319.15
IUPAC Name1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine
SMILESCNC[Si]1(C)O[Si](C)(C)O[Si](C)(C2CCCCC2)O1
InChIInChI=1S/C12H29NO3Si3/c1-13-11-18(4)14-17(2,3)15-19(5,16-18)12-9-7-6-8-10-12/h12-13H,6-11H2,1-5H3
InChIKeyULDCNEUSSMFVGS-UHFFFAOYSA-N
XLogP2.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine (CID 174979365) is 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine is CNC[Si]1(C)O[Si](C)(C)O[Si](C)(C2CCCCC2)O1.
What is the InChIKey of 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine?
The InChIKey is ULDCNEUSSMFVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO3Si3/c1-13-11-18(4)14-17(2,3)15-19(5,16-18)12-9-7-6-8-10-12/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine?
1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine has a molecular weight of 319.63 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-2,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 174979365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).