N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine

C22H41NO5Si2 — CID 164815656

IUPACN,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine
SMILESCCO[Si](CCCc1ccc2c(c1)CO[Si](C)(CCCN(C)C)O2)(OCC)OCC
InChIInChI=1S/C22H41NO5Si2/c1-7-24-30(25-8-2,26-9-3)17-10-12-20-13-14-22-21(18-20)19-27-29(6,28-22)16-11-15-23(4)5/h13-14,18H,7-12,15-17,19H2,1-6H3
InChIKeyYNVBADNYTQERAL-UHFFFAOYSA-N
MW455.74 g/mol
LogP4.60
Rot. Bonds14

About N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine

N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine (PubChem CID 164815656) has the molecular formula C22H41NO5Si2 and a molecular weight of 455.74 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine
PubChem CID164815656
Molecular FormulaC22H41NO5Si2
Molecular Weight455.74 g/mol
Exact Mass455.25
IUPAC NameN,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine
SMILESCCO[Si](CCCc1ccc2c(c1)CO[Si](C)(CCCN(C)C)O2)(OCC)OCC
InChIInChI=1S/C22H41NO5Si2/c1-7-24-30(25-8-2,26-9-3)17-10-12-20-13-14-22-21(18-20)19-27-29(6,28-22)16-11-15-23(4)5/h13-14,18H,7-12,15-17,19H2,1-6H3
InChIKeyYNVBADNYTQERAL-UHFFFAOYSA-N
XLogP4.60
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine (CID 164815656) is N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine is CCO[Si](CCCc1ccc2c(c1)CO[Si](C)(CCCN(C)C)O2)(OCC)OCC.
What is the InChIKey of N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine?
The InChIKey is YNVBADNYTQERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO5Si2/c1-7-24-30(25-8-2,26-9-3)17-10-12-20-13-14-22-21(18-20)19-27-29(6,28-22)16-11-15-23(4)5/h13-14,18H,7-12,15-17,19H2,1-6H3.
What are the key properties of N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine?
N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine has a molecular weight of 455.74 g/mol, XLogP of 4.60, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-methyl-6-(3-triethoxysilylpropyl)-4H-1,3,2-benzodioxasilin-2-yl]propan-1-amine is sourced from PubChem (CID 164815656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).