3-(3-triethoxysilylpropoxy)propan-1-amine

C12H29NO4Si — CID 54154158

IUPAC3-(3-triethoxysilylpropoxy)propan-1-amine
SMILESCCO[Si](CCCOCCCN)(OCC)OCC
InChIInChI=1S/C12H29NO4Si/c1-4-15-18(16-5-2,17-6-3)12-8-11-14-10-7-9-13/h4-13H2,1-3H3
InChIKeyOJVVPBPWCPMEGX-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.79
Rot. Bonds13

About 3-(3-triethoxysilylpropoxy)propan-1-amine

3-(3-triethoxysilylpropoxy)propan-1-amine (PubChem CID 54154158) has the molecular formula C12H29NO4Si and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-(3-triethoxysilylpropoxy)propan-1-amine.

Molecular Properties

Compound Name3-(3-triethoxysilylpropoxy)propan-1-amine
PubChem CID54154158
Molecular FormulaC12H29NO4Si
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Name3-(3-triethoxysilylpropoxy)propan-1-amine
SMILESCCO[Si](CCCOCCCN)(OCC)OCC
InChIInChI=1S/C12H29NO4Si/c1-4-15-18(16-5-2,17-6-3)12-8-11-14-10-7-9-13/h4-13H2,1-3H3
InChIKeyOJVVPBPWCPMEGX-UHFFFAOYSA-N
XLogP1.79
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy-[3-[2-(3-triethoxysilylpropoxy)ethoxy]propyl]silane
CID 90147860
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
methane;triethoxy-[3-(2-hexadecoxyethoxy)propyl]silane
CID 161118607
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
triethoxy(3-methoxypropyl)silane
CID 22712922
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
nitrosilane;triethoxy(3-propoxypropyl)silane
CID 174872971

Frequently Asked Questions

What is the IUPAC name of 3-(3-triethoxysilylpropoxy)propan-1-amine?
The IUPAC name of 3-(3-triethoxysilylpropoxy)propan-1-amine (CID 54154158) is 3-(3-triethoxysilylpropoxy)propan-1-amine.
What is the SMILES notation for 3-(3-triethoxysilylpropoxy)propan-1-amine?
The canonical SMILES for 3-(3-triethoxysilylpropoxy)propan-1-amine is CCO[Si](CCCOCCCN)(OCC)OCC.
What is the InChIKey of 3-(3-triethoxysilylpropoxy)propan-1-amine?
The InChIKey is OJVVPBPWCPMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO4Si/c1-4-15-18(16-5-2,17-6-3)12-8-11-14-10-7-9-13/h4-13H2,1-3H3.
What are the key properties of 3-(3-triethoxysilylpropoxy)propan-1-amine?
3-(3-triethoxysilylpropoxy)propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 1.79, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triethoxysilylpropoxy)propan-1-amine is sourced from PubChem (CID 54154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).