1-propyl-1-trimethoxysilylurea

C7H18N2O4Si — CID 87287857

IUPAC1-propyl-1-trimethoxysilylurea
SMILESCCCN(C(N)=O)[Si](OC)(OC)OC
InChIInChI=1S/C7H18N2O4Si/c1-5-6-9(7(8)10)14(11-2,12-3)13-4/h5-6H2,1-4H3,(H2,8,10)
InChIKeyIWNUFBISMXDVGE-UHFFFAOYSA-N
MW222.32 g/mol
LogP0.15
Rot. Bonds6

About 1-propyl-1-trimethoxysilylurea

1-propyl-1-trimethoxysilylurea (PubChem CID 87287857) has the molecular formula C7H18N2O4Si and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-propyl-1-trimethoxysilylurea.

Molecular Properties

Compound Name1-propyl-1-trimethoxysilylurea
PubChem CID87287857
Molecular FormulaC7H18N2O4Si
Molecular Weight222.32 g/mol
Exact Mass222.10
IUPAC Name1-propyl-1-trimethoxysilylurea
SMILESCCCN(C(N)=O)[Si](OC)(OC)OC
InChIInChI=1S/C7H18N2O4Si/c1-5-6-9(7(8)10)14(11-2,12-3)13-4/h5-6H2,1-4H3,(H2,8,10)
InChIKeyIWNUFBISMXDVGE-UHFFFAOYSA-N
XLogP0.15
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-propyl-1-trimethoxysilylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

amino 4-[[propyl(trimethoxysilyl)carbamoyl]amino]butanoate
CID 175446975
1-methyl-1-trimethoxysilylurea
CID 174574484
ethyl N-propyl-N-triethoxysilylcarbamate
CID 54468213
CID 22358458
CID 22358458
2-methyl-3-[propyl(trimethoxysilyl)amino]propanoic acid
CID 141175457
diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
CID 87148864
[[carboxy(propyl)amino]-dimethylsilyl]-propylcarbamic acid
CID 87274858
prop-2-enyl N-propyl-N-tris(trimethylsilyloxy)silylcarbamate
CID 22412624
(E)-2-[propyl(triethoxysilyl)amino]but-2-enedioic acid
CID 88513136
methyl 2-[amino(propyl)amino]acetate
CID 123689793
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
[carbamoyl(propyl)amino]methylphosphonic acid
CID 87653708

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1-trimethoxysilylurea?
The IUPAC name of 1-propyl-1-trimethoxysilylurea (CID 87287857) is 1-propyl-1-trimethoxysilylurea.
What is the SMILES notation for 1-propyl-1-trimethoxysilylurea?
The canonical SMILES for 1-propyl-1-trimethoxysilylurea is CCCN(C(N)=O)[Si](OC)(OC)OC.
What is the InChIKey of 1-propyl-1-trimethoxysilylurea?
The InChIKey is IWNUFBISMXDVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O4Si/c1-5-6-9(7(8)10)14(11-2,12-3)13-4/h5-6H2,1-4H3,(H2,8,10).
What are the key properties of 1-propyl-1-trimethoxysilylurea?
1-propyl-1-trimethoxysilylurea has a molecular weight of 222.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1-trimethoxysilylurea is sourced from PubChem (CID 87287857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).