N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine

C13H25NO3SSi — CID 14935629

IUPACN-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine
SMILESCCO[Si](CN(C)Cc1cccs1)(OCC)OCC
InChIInChI=1S/C13H25NO3SSi/c1-5-15-19(16-6-2,17-7-3)12-14(4)11-13-9-8-10-18-13/h8-10H,5-7,11-12H2,1-4H3
InChIKeyNIKKVBYAWGOWDM-UHFFFAOYSA-N
MW303.50 g/mol
LogP2.77
Rot. Bonds10

About N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine

N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine (PubChem CID 14935629) has the molecular formula C13H25NO3SSi and a molecular weight of 303.50 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine
PubChem CID14935629
Molecular FormulaC13H25NO3SSi
Molecular Weight303.50 g/mol
Exact Mass303.13
IUPAC NameN-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine
SMILESCCO[Si](CN(C)Cc1cccs1)(OCC)OCC
InChIInChI=1S/C13H25NO3SSi/c1-5-15-19(16-6-2,17-7-3)12-14(4)11-13-9-8-10-18-13/h8-10H,5-7,11-12H2,1-4H3
InChIKeyNIKKVBYAWGOWDM-UHFFFAOYSA-N
XLogP2.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine?
The IUPAC name of N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine (CID 14935629) is N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine?
The canonical SMILES for N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine is CCO[Si](CN(C)Cc1cccs1)(OCC)OCC.
What is the InChIKey of N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine?
The InChIKey is NIKKVBYAWGOWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3SSi/c1-5-15-19(16-6-2,17-7-3)12-14(4)11-13-9-8-10-18-13/h8-10H,5-7,11-12H2,1-4H3.
What are the key properties of N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine?
N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine has a molecular weight of 303.50 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-yl-N-(triethoxysilylmethyl)methanamine is sourced from PubChem (CID 14935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).