3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine

C12H26N2O3Si — CID 125472841

IUPAC3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine
SMILESC[C@@H]1CN2C[C@@H](C)O[Si](CCCN)(O1)O[C@H](C)C2
InChIInChI=1S/C12H26N2O3Si/c1-10-7-14-8-11(2)16-18(15-10,6-4-5-13)17-12(3)9-14/h10-12H,4-9,13H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyHFDGSUROEHBOLK-IJLUTSLNSA-N
MW274.44 g/mol
LogP0.82
Rot. Bonds3

About 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine

3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine (PubChem CID 125472841) has the molecular formula C12H26N2O3Si and a molecular weight of 274.44 g/mol. Its IUPAC name is 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine
PubChem CID125472841
Molecular FormulaC12H26N2O3Si
Molecular Weight274.44 g/mol
Exact Mass274.17
IUPAC Name3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine
SMILESC[C@@H]1CN2C[C@@H](C)O[Si](CCCN)(O1)O[C@H](C)C2
InChIInChI=1S/C12H26N2O3Si/c1-10-7-14-8-11(2)16-18(15-10,6-4-5-13)17-12(3)9-14/h10-12H,4-9,13H2,1-3H3/t10-,11-,12-/m1/s1
InChIKeyHFDGSUROEHBOLK-IJLUTSLNSA-N
XLogP0.82
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine?
The IUPAC name of 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine (CID 125472841) is 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine.
What is the SMILES notation for 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine?
The canonical SMILES for 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine is C[C@@H]1CN2C[C@@H](C)O[Si](CCCN)(O1)O[C@H](C)C2.
What is the InChIKey of 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine?
The InChIKey is HFDGSUROEHBOLK-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H26N2O3Si/c1-10-7-14-8-11(2)16-18(15-10,6-4-5-13)17-12(3)9-14/h10-12H,4-9,13H2,1-3H3/t10-,11-,12-/m1/s1.
What are the key properties of 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine?
3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine has a molecular weight of 274.44 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,7R,10R)-3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl]propan-1-amine is sourced from PubChem (CID 125472841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).