N-(3,3-dimethoxypropylsilyl)-N-ethylaniline

C13H23NO2Si — CID 172682204

IUPACN-(3,3-dimethoxypropylsilyl)-N-ethylaniline
SMILESCCN([SiH2]CCC(OC)OC)c1ccccc1
InChIInChI=1S/C13H23NO2Si/c1-4-14(12-8-6-5-7-9-12)17-11-10-13(15-2)16-3/h5-9,13H,4,10-11,17H2,1-3H3
InChIKeyAODQBLQPIICRIP-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.02
Rot. Bonds8

About N-(3,3-dimethoxypropylsilyl)-N-ethylaniline

N-(3,3-dimethoxypropylsilyl)-N-ethylaniline (PubChem CID 172682204) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is N-(3,3-dimethoxypropylsilyl)-N-ethylaniline.

Molecular Properties

Compound NameN-(3,3-dimethoxypropylsilyl)-N-ethylaniline
PubChem CID172682204
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC NameN-(3,3-dimethoxypropylsilyl)-N-ethylaniline
SMILESCCN([SiH2]CCC(OC)OC)c1ccccc1
InChIInChI=1S/C13H23NO2Si/c1-4-14(12-8-6-5-7-9-12)17-11-10-13(15-2)16-3/h5-9,13H,4,10-11,17H2,1-3H3
InChIKeyAODQBLQPIICRIP-UHFFFAOYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethoxypropylsilyl)-N-ethylaniline?
The IUPAC name of N-(3,3-dimethoxypropylsilyl)-N-ethylaniline (CID 172682204) is N-(3,3-dimethoxypropylsilyl)-N-ethylaniline.
What is the SMILES notation for N-(3,3-dimethoxypropylsilyl)-N-ethylaniline?
The canonical SMILES for N-(3,3-dimethoxypropylsilyl)-N-ethylaniline is CCN([SiH2]CCC(OC)OC)c1ccccc1.
What is the InChIKey of N-(3,3-dimethoxypropylsilyl)-N-ethylaniline?
The InChIKey is AODQBLQPIICRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-4-14(12-8-6-5-7-9-12)17-11-10-13(15-2)16-3/h5-9,13H,4,10-11,17H2,1-3H3.
What are the key properties of N-(3,3-dimethoxypropylsilyl)-N-ethylaniline?
N-(3,3-dimethoxypropylsilyl)-N-ethylaniline has a molecular weight of 253.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethoxypropylsilyl)-N-ethylaniline is sourced from PubChem (CID 172682204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).