3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine

C13H29NOSi — CID 67253956

IUPAC3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine
SMILESCCC1(CCCN)CCC[Si](CC)(CC)O1
InChIInChI=1S/C13H29NOSi/c1-4-13(9-7-11-14)10-8-12-16(5-2,6-3)15-13/h4-12,14H2,1-3H3
InChIKeyXBBZYOUVTIWRMS-UHFFFAOYSA-N
MW243.47 g/mol
LogP3.67
Rot. Bonds6

About 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine

3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine (PubChem CID 67253956) has the molecular formula C13H29NOSi and a molecular weight of 243.47 g/mol. Its IUPAC name is 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine
PubChem CID67253956
Molecular FormulaC13H29NOSi
Molecular Weight243.47 g/mol
Exact Mass243.20
IUPAC Name3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine
SMILESCCC1(CCCN)CCC[Si](CC)(CC)O1
InChIInChI=1S/C13H29NOSi/c1-4-13(9-7-11-14)10-8-12-16(5-2,6-3)15-13/h4-12,14H2,1-3H3
InChIKeyXBBZYOUVTIWRMS-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine?
The IUPAC name of 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine (CID 67253956) is 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine?
The canonical SMILES for 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine is CCC1(CCCN)CCC[Si](CC)(CC)O1.
What is the InChIKey of 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine?
The InChIKey is XBBZYOUVTIWRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOSi/c1-4-13(9-7-11-14)10-8-12-16(5-2,6-3)15-13/h4-12,14H2,1-3H3.
What are the key properties of 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine?
3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine has a molecular weight of 243.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6-triethyloxasilinan-6-yl)propan-1-amine is sourced from PubChem (CID 67253956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).