N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine

C19H46N2O3Si2 — CID 87069481

IUPACN-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine
SMILESCCOCCN(CCN(CC)CCC[Si](C)(OCC)OCC)[Si](C)(C)C
InChIInChI=1S/C19H46N2O3Si2/c1-9-20(14-13-19-26(8,23-11-3)24-12-4)15-16-21(25(5,6)7)17-18-22-10-2/h9-19H2,1-8H3
InChIKeyPSXNMMCJSKZZRL-UHFFFAOYSA-N
MW406.76 g/mol
LogP4.02
Rot. Bonds17

About N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine

N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine (PubChem CID 87069481) has the molecular formula C19H46N2O3Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine
PubChem CID87069481
Molecular FormulaC19H46N2O3Si2
Molecular Weight406.76 g/mol
Exact Mass406.30
IUPAC NameN-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine
SMILESCCOCCN(CCN(CC)CCC[Si](C)(OCC)OCC)[Si](C)(C)C
InChIInChI=1S/C19H46N2O3Si2/c1-9-20(14-13-19-26(8,23-11-3)24-12-4)15-16-21(25(5,6)7)17-18-22-10-2/h9-19H2,1-8H3
InChIKeyPSXNMMCJSKZZRL-UHFFFAOYSA-N
XLogP4.02
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[diethoxy(methyl)silyl]propyl]-N'-[3-(diethylamino)propyl]-N,N-diethylpropane-1,3-diamine
CID 140647314
3-[2-[diethoxy(methyl)silyl]ethoxy]-N,N-diethylpropan-1-amine
CID 90074831
3-[[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-[3-(diethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-diethylpropan-1-amine
CID 171623497
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
[tert-butyl(dimethyl)silyl] 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852109
4-[diethoxy(methyl)silyl]-N,N-bis(trimethylsilyl)butan-1-amine
CID 87559726
N-propyl-3-triethoxysilyl-N-trimethylsilylpropan-1-amine
CID 90265370
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
triethylsilyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-trimethylsilylamino]acetate
CID 140591135
N'-[3-(ethoxy-ethyl-methylsilyl)propyl]-N-ethyl-N'-[3-[ethyl(propyl)amino]propyl]-N-propylpropane-1,3-diamine
CID 140647444
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
3-[[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-[3-(dimethylamino)propyl-ethoxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-ethoxy-methylsilyl]-N,N-dimethylpropan-1-amine
CID 171623500

Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine?
The IUPAC name of N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine (CID 87069481) is N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine.
What is the SMILES notation for N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine?
The canonical SMILES for N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine is CCOCCN(CCN(CC)CCC[Si](C)(OCC)OCC)[Si](C)(C)C.
What is the InChIKey of N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine?
The InChIKey is PSXNMMCJSKZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46N2O3Si2/c1-9-20(14-13-19-26(8,23-11-3)24-12-4)15-16-21(25(5,6)7)17-18-22-10-2/h9-19H2,1-8H3.
What are the key properties of N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine?
N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine has a molecular weight of 406.76 g/mol, XLogP of 4.02, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(methyl)silyl]propyl]-N'-(2-ethoxyethyl)-N-ethyl-N'-trimethylsilylethane-1,2-diamine is sourced from PubChem (CID 87069481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).