ethyl carbamate;3-triethoxysilylpropan-1-amine

C12H30N2O5Si — CID 90205560

IUPACethyl carbamate;3-triethoxysilylpropan-1-amine
SMILESCCOC(N)=O.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C9H23NO3Si.C3H7NO2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-6-3(4)5/h4-10H2,1-3H3;2H2,1H3,(H2,4,5)
InChIKeyPNXAAIPUDTZTSD-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.49
Rot. Bonds10

About ethyl carbamate;3-triethoxysilylpropan-1-amine

ethyl carbamate;3-triethoxysilylpropan-1-amine (PubChem CID 90205560) has the molecular formula C12H30N2O5Si and a molecular weight of 310.47 g/mol. Its IUPAC name is ethyl carbamate;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Nameethyl carbamate;3-triethoxysilylpropan-1-amine
PubChem CID90205560
Molecular FormulaC12H30N2O5Si
Molecular Weight310.47 g/mol
Exact Mass310.19
IUPAC Nameethyl carbamate;3-triethoxysilylpropan-1-amine
SMILESCCOC(N)=O.CCO[Si](CCCN)(OCC)OCC
InChIInChI=1S/C9H23NO3Si.C3H7NO2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-6-3(4)5/h4-10H2,1-3H3;2H2,1H3,(H2,4,5)
InChIKeyPNXAAIPUDTZTSD-UHFFFAOYSA-N
XLogP1.49
TPSA106.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
ethyl carbamate;hexane-1,6-diamine
CID 161407066
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
(2-hydroxy-6-triethoxysilylhexyl) carbamate
CID 154262289
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
silane;3-triethoxysilylpropylurea
CID 161180470
ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)
CID 167608447

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;3-triethoxysilylpropan-1-amine?
The IUPAC name of ethyl carbamate;3-triethoxysilylpropan-1-amine (CID 90205560) is ethyl carbamate;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for ethyl carbamate;3-triethoxysilylpropan-1-amine?
The canonical SMILES for ethyl carbamate;3-triethoxysilylpropan-1-amine is CCOC(N)=O.CCO[Si](CCCN)(OCC)OCC.
What is the InChIKey of ethyl carbamate;3-triethoxysilylpropan-1-amine?
The InChIKey is PNXAAIPUDTZTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.C3H7NO2/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-2-6-3(4)5/h4-10H2,1-3H3;2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;3-triethoxysilylpropan-1-amine?
ethyl carbamate;3-triethoxysilylpropan-1-amine has a molecular weight of 310.47 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 90205560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).