3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine

C20H48N2O8Si3 — CID 162724360

IUPAC3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCN(CCCN1CCC[Si]1(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C20H48N2O8Si3/c1-23-31(24-2)18-12-17-22(31)16-9-13-21(14-10-19-32(25-3,26-4)27-5)15-11-20-33(28-6,29-7)30-8/h9-20H2,1-8H3
InChIKeyKKVCZEVOANCWTQ-UHFFFAOYSA-N
MW528.87 g/mol
LogP2.15
Rot. Bonds20

About 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine

3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine (PubChem CID 162724360) has the molecular formula C20H48N2O8Si3 and a molecular weight of 528.87 g/mol. Its IUPAC name is 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
PubChem CID162724360
Molecular FormulaC20H48N2O8Si3
Molecular Weight528.87 g/mol
Exact Mass528.27
IUPAC Name3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCN(CCCN1CCC[Si]1(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C20H48N2O8Si3/c1-23-31(24-2)18-12-17-22(31)16-9-13-21(14-10-19-32(25-3,26-4)27-5)15-11-20-33(28-6,29-7)30-8/h9-20H2,1-8H3
InChIKeyKKVCZEVOANCWTQ-UHFFFAOYSA-N
XLogP2.15
TPSA80.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.87
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethoxyazasilolidin-1-yl)methyl-dimethoxy-methylsilane
CID 175581801
1-ethyl-2,2-dimethoxyazasilolidine
CID 58590083
6-[3-(2,2-dimethoxyazasilolidin-1-yl)propylsilyl]hexan-2-yl-trimethoxysilane
CID 175462163
2-ethoxy-1-icosyl-2-methoxyazasilolidine
CID 150681754
3-(2-methoxy-2-methylazasilolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 140722643
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
1-(2,2-dimethylpropyl)-2,2-dimethoxyazasilolidine
CID 139828767
trimethoxy-[3-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propyl]silane
CID 178023107
3-(2,2-diethoxyazasilolidin-1-yl)-N-(3-triethoxysilylpropyl)propan-1-amine
CID 174990503
11-(4,7-dimethyl-1,4,7-triazonan-1-yl)undecyl-trimethoxysilane
CID 102100554
trimethoxy(3-piperazin-1-ylpropyl)silane
CID 12841680
(2,2-dimethoxyazasilolidin-1-yl)silane
CID 154510834

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine (CID 162724360) is 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine is CO[Si](CCCN(CCCN1CCC[Si]1(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is KKVCZEVOANCWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H48N2O8Si3/c1-23-31(24-2)18-12-17-22(31)16-9-13-21(14-10-19-32(25-3,26-4)27-5)15-11-20-33(28-6,29-7)30-8/h9-20H2,1-8H3.
What are the key properties of 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 528.87 g/mol, XLogP of 2.15, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyazasilolidin-1-yl)-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 162724360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).