N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline

C12H19NO3Si — CID 70587297

IUPACN-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline
SMILESC=CC[Si](OC)(OC)OCNc1ccccc1
InChIInChI=1S/C12H19NO3Si/c1-4-10-17(14-2,15-3)16-11-13-12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3
InChIKeyKXNHEQSRSPWKMN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds8

About N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline

N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline (PubChem CID 70587297) has the molecular formula C12H19NO3Si and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline.

Molecular Properties

Compound NameN-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline
PubChem CID70587297
Molecular FormulaC12H19NO3Si
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline
SMILESC=CC[Si](OC)(OC)OCNc1ccccc1
InChIInChI=1S/C12H19NO3Si/c1-4-10-17(14-2,15-3)16-11-13-12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3
InChIKeyKXNHEQSRSPWKMN-UHFFFAOYSA-N
XLogP2.49
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline?
The IUPAC name of N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline (CID 70587297) is N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline.
What is the SMILES notation for N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline?
The canonical SMILES for N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline is C=CC[Si](OC)(OC)OCNc1ccccc1.
What is the InChIKey of N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline?
The InChIKey is KXNHEQSRSPWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3Si/c1-4-10-17(14-2,15-3)16-11-13-12-8-6-5-7-9-12/h4-9,13H,1,10-11H2,2-3H3.
What are the key properties of N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline?
N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline has a molecular weight of 253.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethoxy(prop-2-enyl)silyl]oxymethyl]aniline is sourced from PubChem (CID 70587297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).