3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine

C10H22N2O3Si — CID 18620385

IUPAC3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
SMILESCCO[Si](CCCN)(CCN=C=O)OCC
InChIInChI=1S/C10H22N2O3Si/c1-3-14-16(15-4-2,8-5-6-11)9-7-12-10-13/h3-9,11H2,1-2H3
InChIKeyWXFPLLBSIKKJAE-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.19
Rot. Bonds10

About 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine

3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine (PubChem CID 18620385) has the molecular formula C10H22N2O3Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
PubChem CID18620385
Molecular FormulaC10H22N2O3Si
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
SMILESCCO[Si](CCCN)(CCN=C=O)OCC
InChIInChI=1S/C10H22N2O3Si/c1-3-14-16(15-4-2,8-5-6-11)9-7-12-10-13/h3-9,11H2,1-2H3
InChIKeyWXFPLLBSIKKJAE-UHFFFAOYSA-N
XLogP1.19
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312
ethyl-(2-isocyanatoethyl)-dipropoxysilane
CID 142701820
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
4-[diethoxy(propyl)silyl]butan-1-amine
CID 139765357
butyl-(3-isocyanatopropyl)-dimethoxysilane
CID 140798796
hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine?
The IUPAC name of 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine (CID 18620385) is 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine.
What is the SMILES notation for 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine?
The canonical SMILES for 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine is CCO[Si](CCCN)(CCN=C=O)OCC.
What is the InChIKey of 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine?
The InChIKey is WXFPLLBSIKKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3Si/c1-3-14-16(15-4-2,8-5-6-11)9-7-12-10-13/h3-9,11H2,1-2H3.
What are the key properties of 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine?
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine is sourced from PubChem (CID 18620385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).