3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine

C14H31NO3Si — CID 174259189

IUPAC3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine
SMILESCCOC1(CCCN)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H31NO3Si/c1-4-16-14(11-9-12-15)10-7-8-13-19(14,17-5-2)18-6-3/h4-13,15H2,1-3H3
InChIKeyNTTXVMSFLFEARX-UHFFFAOYSA-N
MW289.49 g/mol
LogP2.74
Rot. Bonds9

About 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine

3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine (PubChem CID 174259189) has the molecular formula C14H31NO3Si and a molecular weight of 289.49 g/mol. Its IUPAC name is 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine
PubChem CID174259189
Molecular FormulaC14H31NO3Si
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine
SMILESCCOC1(CCCN)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H31NO3Si/c1-4-16-14(11-9-12-15)10-7-8-13-19(14,17-5-2)18-6-3/h4-13,15H2,1-3H3
InChIKeyNTTXVMSFLFEARX-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine?
The IUPAC name of 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine (CID 174259189) is 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine is CCOC1(CCCN)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine?
The InChIKey is NTTXVMSFLFEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3Si/c1-4-16-14(11-9-12-15)10-7-8-13-19(14,17-5-2)18-6-3/h4-13,15H2,1-3H3.
What are the key properties of 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine?
3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2-triethoxysilinan-2-yl)propan-1-amine is sourced from PubChem (CID 174259189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).