N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine

C14H33NO2Si — CID 23065058

IUPACN-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine
SMILESCCCCN(CCCC)C[Si](C)(OCC)OCC
InChIInChI=1S/C14H33NO2Si/c1-6-10-12-15(13-11-7-2)14-18(5,16-8-3)17-9-4/h6-14H2,1-5H3
InChIKeyLLGLAXFMRGGIOO-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.57
Rot. Bonds12

About N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine

N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine (PubChem CID 23065058) has the molecular formula C14H33NO2Si and a molecular weight of 275.51 g/mol. Its IUPAC name is N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine
PubChem CID23065058
Molecular FormulaC14H33NO2Si
Molecular Weight275.51 g/mol
Exact Mass275.23
IUPAC NameN-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine
SMILESCCCCN(CCCC)C[Si](C)(OCC)OCC
InChIInChI=1S/C14H33NO2Si/c1-6-10-12-15(13-11-7-2)14-18(5,16-8-3)17-9-4/h6-14H2,1-5H3
InChIKeyLLGLAXFMRGGIOO-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine (CID 23065058) is N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine is CCCCN(CCCC)C[Si](C)(OCC)OCC.
What is the InChIKey of N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine?
The InChIKey is LLGLAXFMRGGIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO2Si/c1-6-10-12-15(13-11-7-2)14-18(5,16-8-3)17-9-4/h6-14H2,1-5H3.
What are the key properties of N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine?
N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine has a molecular weight of 275.51 g/mol, XLogP of 3.57, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[diethoxy(methyl)silyl]methyl]butan-1-amine is sourced from PubChem (CID 23065058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).