3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine

C18H27N3OSi — CID 67264770

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
SMILESCN(c1cccnc1)c1ncccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27N3OSi/c1-18(2,3)23(5,6)22-14-15-9-7-12-20-17(15)21(4)16-10-8-11-19-13-16/h7-13H,14H2,1-6H3
InChIKeyUOSHVUMFHJYKPG-UHFFFAOYSA-N
MW329.52 g/mol
LogP4.77
Rot. Bonds5

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine (PubChem CID 67264770) has the molecular formula C18H27N3OSi and a molecular weight of 329.52 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
PubChem CID67264770
Molecular FormulaC18H27N3OSi
Molecular Weight329.52 g/mol
Exact Mass329.19
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine
SMILESCN(c1cccnc1)c1ncccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27N3OSi/c1-18(2,3)23(5,6)22-14-15-9-7-12-20-17(15)21(4)16-10-8-11-19-13-16/h7-13H,14H2,1-6H3
InChIKeyUOSHVUMFHJYKPG-UHFFFAOYSA-N
XLogP4.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine (CID 67264770) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine is CN(c1cccnc1)c1ncccc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
The InChIKey is UOSHVUMFHJYKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OSi/c1-18(2,3)23(5,6)22-14-15-9-7-12-20-17(15)21(4)16-10-8-11-19-13-16/h7-13H,14H2,1-6H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine has a molecular weight of 329.52 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-methyl-N-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 67264770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).