N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine

C12H30N2O3Si — CID 154308383

IUPACN'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine
SMILESCCO[Si](CC(C)C)(OCC)OC(C)NCCN
InChIInChI=1S/C12H30N2O3Si/c1-6-15-18(16-7-2,10-11(3)4)17-12(5)14-9-8-13/h11-12,14H,6-10,13H2,1-5H3
InChIKeyCLELYJGPROQYTN-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.57
Rot. Bonds11

About N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine

N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine (PubChem CID 154308383) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine
PubChem CID154308383
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC NameN'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine
SMILESCCO[Si](CC(C)C)(OCC)OC(C)NCCN
InChIInChI=1S/C12H30N2O3Si/c1-6-15-18(16-7-2,10-11(3)4)17-12(5)14-9-8-13/h11-12,14H,6-10,13H2,1-5H3
InChIKeyCLELYJGPROQYTN-UHFFFAOYSA-N
XLogP1.57
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
CID 22359732
2-N-(2-triethoxysilylethyl)propane-1,2-diamine
CID 59561197
2-[diethoxy(2-methylpropyl)silyl]oxy-N-ethylethanamine
CID 150177866
N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 102341543
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
N'-(1-trimethoxysilylpropan-2-yl)ethane-1,2-diamine
CID 22661604
ethoxysilane;N'-(1-triethoxysilylpropan-2-yl)methanediamine
CID 159811606
1-triethoxysilylpropan-2-amine
CID 10236113
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
2-[ethoxy-methylperoxy-(2-methylpropyl)silyl]oxy-N-ethylethanamine
CID 151724970
N'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971

Frequently Asked Questions

What is the IUPAC name of N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine (CID 154308383) is N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine is CCO[Si](CC(C)C)(OCC)OC(C)NCCN.
What is the InChIKey of N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine?
The InChIKey is CLELYJGPROQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-6-15-18(16-7-2,10-11(3)4)17-12(5)14-9-8-13/h11-12,14H,6-10,13H2,1-5H3.
What are the key properties of N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine?
N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[diethoxy(2-methylpropyl)silyl]oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 154308383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).