1-triethoxysilylnonan-3-amine

C15H35NO3Si — CID 174893376

IUPAC1-triethoxysilylnonan-3-amine
SMILESCCCCCCC(N)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H35NO3Si/c1-5-9-10-11-12-15(16)13-14-20(17-6-2,18-7-3)19-8-4/h15H,5-14,16H2,1-4H3
InChIKeyVGPXLWJGATXTHO-UHFFFAOYSA-N
MW305.53 g/mol
LogP3.72
Rot. Bonds14

About 1-triethoxysilylnonan-3-amine

1-triethoxysilylnonan-3-amine (PubChem CID 174893376) has the molecular formula C15H35NO3Si and a molecular weight of 305.53 g/mol. Its IUPAC name is 1-triethoxysilylnonan-3-amine.

Molecular Properties

Compound Name1-triethoxysilylnonan-3-amine
PubChem CID174893376
Molecular FormulaC15H35NO3Si
Molecular Weight305.53 g/mol
Exact Mass305.24
IUPAC Name1-triethoxysilylnonan-3-amine
SMILESCCCCCCC(N)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C15H35NO3Si/c1-5-9-10-11-12-15(16)13-14-20(17-6-2,18-7-3)19-8-4/h15H,5-14,16H2,1-4H3
InChIKeyVGPXLWJGATXTHO-UHFFFAOYSA-N
XLogP3.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-triethoxysilylnonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-triethoxysilylheptan-2-amine
CID 90410833
6-[ethoxy(diethyl)silyl]-1-triethoxysilylhexan-3-amine
CID 87296354
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
triethoxy(8-fluorohenicosyl)silane
CID 87070985
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylnonan-3-amine?
The IUPAC name of 1-triethoxysilylnonan-3-amine (CID 174893376) is 1-triethoxysilylnonan-3-amine.
What is the SMILES notation for 1-triethoxysilylnonan-3-amine?
The canonical SMILES for 1-triethoxysilylnonan-3-amine is CCCCCCC(N)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylnonan-3-amine?
The InChIKey is VGPXLWJGATXTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO3Si/c1-5-9-10-11-12-15(16)13-14-20(17-6-2,18-7-3)19-8-4/h15H,5-14,16H2,1-4H3.
What are the key properties of 1-triethoxysilylnonan-3-amine?
1-triethoxysilylnonan-3-amine has a molecular weight of 305.53 g/mol, XLogP of 3.72, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylnonan-3-amine is sourced from PubChem (CID 174893376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).