N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine

C17H39NO5Si — CID 150152362

IUPACN-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine
SMILESCCCCNCCC[SiH](OCC)OCC(OCC)(OCC)OCC
InChIInChI=1S/C17H39NO5Si/c1-6-11-13-18-14-12-15-24(22-10-5)23-16-17(19-7-2,20-8-3)21-9-4/h18,24H,6-16H2,1-5H3
InChIKeyFFMYSWZIXWBFDO-UHFFFAOYSA-N
MW365.59 g/mol
LogP2.80
Rot. Bonds18

About N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine

N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine (PubChem CID 150152362) has the molecular formula C17H39NO5Si and a molecular weight of 365.59 g/mol. Its IUPAC name is N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine
PubChem CID150152362
Molecular FormulaC17H39NO5Si
Molecular Weight365.59 g/mol
Exact Mass365.26
IUPAC NameN-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine
SMILESCCCCNCCC[SiH](OCC)OCC(OCC)(OCC)OCC
InChIInChI=1S/C17H39NO5Si/c1-6-11-13-18-14-12-15-24(22-10-5)23-16-17(19-7-2,20-8-3)21-9-4/h18,24H,6-16H2,1-5H3
InChIKeyFFMYSWZIXWBFDO-UHFFFAOYSA-N
XLogP2.80
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine?
The IUPAC name of N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine (CID 150152362) is N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine.
What is the SMILES notation for N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine?
The canonical SMILES for N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine is CCCCNCCC[SiH](OCC)OCC(OCC)(OCC)OCC.
What is the InChIKey of N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine?
The InChIKey is FFMYSWZIXWBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5Si/c1-6-11-13-18-14-12-15-24(22-10-5)23-16-17(19-7-2,20-8-3)21-9-4/h18,24H,6-16H2,1-5H3.
What are the key properties of N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine?
N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine has a molecular weight of 365.59 g/mol, XLogP of 2.80, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine is sourced from PubChem (CID 150152362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).