3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine

C6H19NO5Si4 — CID 123422886

IUPAC3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine
SMILESC[SiH]1O[Si]2(C)O[SiH](C)O[Si](CCCN)(O1)O2
InChIInChI=1S/C6H19NO5Si4/c1-13-8-15(3)9-14(2)11-16(10-13,12-15)6-4-5-7/h13-14H,4-7H2,1-3H3
InChIKeyNVTFHCRYQWCUFA-UHFFFAOYSA-N
MW297.56 g/mol
LogP-0.35
Rot. Bonds3

About 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine

3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine (PubChem CID 123422886) has the molecular formula C6H19NO5Si4 and a molecular weight of 297.56 g/mol. Its IUPAC name is 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine
PubChem CID123422886
Molecular FormulaC6H19NO5Si4
Molecular Weight297.56 g/mol
Exact Mass297.03
IUPAC Name3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine
SMILESC[SiH]1O[Si]2(C)O[SiH](C)O[Si](CCCN)(O1)O2
InChIInChI=1S/C6H19NO5Si4/c1-13-8-15(3)9-14(2)11-16(10-13,12-15)6-4-5-7/h13-14H,4-7H2,1-3H3
InChIKeyNVTFHCRYQWCUFA-UHFFFAOYSA-N
XLogP-0.35
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.56
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine?
The IUPAC name of 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine (CID 123422886) is 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine is C[SiH]1O[Si]2(C)O[SiH](C)O[Si](CCCN)(O1)O2.
What is the InChIKey of 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine?
The InChIKey is NVTFHCRYQWCUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H19NO5Si4/c1-13-8-15(3)9-14(2)11-16(10-13,12-15)6-4-5-7/h13-14H,4-7H2,1-3H3.
What are the key properties of 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine?
3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine has a molecular weight of 297.56 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine is sourced from PubChem (CID 123422886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).