(2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine

C21H56N2O5Si5 — CID 67424237

IUPAC(2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine
SMILESCCCC(N([Si](C)(C)C)[Si](C)(C)C)[Si](OC)(OC)OC.CO[Si]1(OC)CCCN1[Si](C)(C)C
InChIInChI=1S/C13H35NO3Si3.C8H21NO2Si2/c1-11-12-13(20(15-2,16-3)17-4)14(18(5,6)7)19(8,9)10;1-10-13(11-2)8-6-7-9(13)12(3,4)5/h13H,11-12H2,1-10H3;6-8H2,1-5H3
InChIKeyNBBHKGLTBNCCBM-UHFFFAOYSA-N
MW557.12 g/mol
LogP5.30
Rot. Bonds12

About (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine

(2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine (PubChem CID 67424237) has the molecular formula C21H56N2O5Si5 and a molecular weight of 557.12 g/mol. Its IUPAC name is (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine.

Molecular Properties

Compound Name(2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine
PubChem CID67424237
Molecular FormulaC21H56N2O5Si5
Molecular Weight557.12 g/mol
Exact Mass556.30
IUPAC Name(2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine
SMILESCCCC(N([Si](C)(C)C)[Si](C)(C)C)[Si](OC)(OC)OC.CO[Si]1(OC)CCCN1[Si](C)(C)C
InChIInChI=1S/C13H35NO3Si3.C8H21NO2Si2/c1-11-12-13(20(15-2,16-3)17-4)14(18(5,6)7)19(8,9)10;1-10-13(11-2)8-6-7-9(13)12(3,4)5/h13H,11-12H2,1-10H3;6-8H2,1-5H3
InChIKeyNBBHKGLTBNCCBM-UHFFFAOYSA-N
XLogP5.30
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.12
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine?
The IUPAC name of (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine (CID 67424237) is (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine.
What is the SMILES notation for (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine?
The canonical SMILES for (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine is CCCC(N([Si](C)(C)C)[Si](C)(C)C)[Si](OC)(OC)OC.CO[Si]1(OC)CCCN1[Si](C)(C)C.
What is the InChIKey of (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine?
The InChIKey is NBBHKGLTBNCCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H35NO3Si3.C8H21NO2Si2/c1-11-12-13(20(15-2,16-3)17-4)14(18(5,6)7)19(8,9)10;1-10-13(11-2)8-6-7-9(13)12(3,4)5/h13H,11-12H2,1-10H3;6-8H2,1-5H3.
What are the key properties of (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine?
(2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine has a molecular weight of 557.12 g/mol, XLogP of 5.30, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethoxyazasilolidin-1-yl)-trimethylsilane;1-trimethoxysilyl-N,N-bis(trimethylsilyl)butan-1-amine is sourced from PubChem (CID 67424237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).