1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea

C12H29N3O4Si — CID 123366285

IUPAC1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCN(CCN)C(N)=O)(OCC)OCC
InChIInChI=1S/C12H29N3O4Si/c1-4-17-20(18-5-2,19-6-3)11-7-9-15(10-8-13)12(14)16/h4-11,13H2,1-3H3,(H2,14,16)
InChIKeyQWVMBSJPKNPVNH-UHFFFAOYSA-N
MW307.47 g/mol
LogP0.76
Rot. Bonds12

About 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea

1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea (PubChem CID 123366285) has the molecular formula C12H29N3O4Si and a molecular weight of 307.47 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
PubChem CID123366285
Molecular FormulaC12H29N3O4Si
Molecular Weight307.47 g/mol
Exact Mass307.19
IUPAC Name1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCN(CCN)C(N)=O)(OCC)OCC
InChIInChI=1S/C12H29N3O4Si/c1-4-17-20(18-5-2,19-6-3)11-7-9-15(10-8-13)12(14)16/h4-11,13H2,1-3H3,(H2,14,16)
InChIKeyQWVMBSJPKNPVNH-UHFFFAOYSA-N
XLogP0.76
TPSA100.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
ethyl(5-triethoxysilylpentyl)carbamic acid
CID 87909995
2-(2-ethoxyethoxy)ethyl-(3-triethoxysilylpropyl)carbamic acid
CID 175346086
1,1-bis(4-triethoxysilylpentyl)urea
CID 175197450
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
silane;3-triethoxysilylpropylurea
CID 161180470
carbamic acid;triethoxy(propyl)silane
CID 175441799
[[ethyl(3-triethoxysilylpropyl)carbamoyl]diazenyl] formate
CID 140661187
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
tert-butyl(3-triethoxysilylpropyl)carbamic acid;silane
CID 174147309
1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea (CID 123366285) is 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea is CCO[Si](CCCN(CCN)C(N)=O)(OCC)OCC.
What is the InChIKey of 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea?
The InChIKey is QWVMBSJPKNPVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O4Si/c1-4-17-20(18-5-2,19-6-3)11-7-9-15(10-8-13)12(14)16/h4-11,13H2,1-3H3,(H2,14,16).
What are the key properties of 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea?
1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea has a molecular weight of 307.47 g/mol, XLogP of 0.76, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 123366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).