3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine

C15H38N2O2Si3 — CID 67979904

IUPAC3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine
SMILESCN1CCO[Si](C)(CCCN([Si](C)(C)C)[Si](C)(C)C)OCC1
InChIInChI=1S/C15H38N2O2Si3/c1-16-11-13-18-22(8,19-14-12-16)15-9-10-17(20(2,3)4)21(5,6)7/h9-15H2,1-8H3
InChIKeyCNMIAICUTJPZOU-UHFFFAOYSA-N
MW362.74 g/mol
LogP3.40
Rot. Bonds6

About 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine

3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine (PubChem CID 67979904) has the molecular formula C15H38N2O2Si3 and a molecular weight of 362.74 g/mol. Its IUPAC name is 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine
PubChem CID67979904
Molecular FormulaC15H38N2O2Si3
Molecular Weight362.74 g/mol
Exact Mass362.22
IUPAC Name3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine
SMILESCN1CCO[Si](C)(CCCN([Si](C)(C)C)[Si](C)(C)C)OCC1
InChIInChI=1S/C15H38N2O2Si3/c1-16-11-13-18-22(8,19-14-12-16)15-9-10-17(20(2,3)4)21(5,6)7/h9-15H2,1-8H3
InChIKeyCNMIAICUTJPZOU-UHFFFAOYSA-N
XLogP3.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 53.40
H-Bond Donors ≤ 50
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-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine?
The IUPAC name of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine (CID 67979904) is 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine.
What is the SMILES notation for 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine?
The canonical SMILES for 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine is CN1CCO[Si](C)(CCCN([Si](C)(C)C)[Si](C)(C)C)OCC1.
What is the InChIKey of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine?
The InChIKey is CNMIAICUTJPZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38N2O2Si3/c1-16-11-13-18-22(8,19-14-12-16)15-9-10-17(20(2,3)4)21(5,6)7/h9-15H2,1-8H3.
What are the key properties of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine?
3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine has a molecular weight of 362.74 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine is sourced from PubChem (CID 67979904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).