1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine

C11H26N2O3Si — CID 175004707

IUPAC1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCC(N)N1CC1)(OCC)OCC
InChIInChI=1S/C11H26N2O3Si/c1-4-14-17(15-5-2,16-6-3)10-7-11(12)13-8-9-13/h11H,4-10,12H2,1-3H3
InChIKeyMWCHBSGNDYOWFC-UHFFFAOYSA-N
MW262.43 g/mol
LogP1.03
Rot. Bonds10

About 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine

1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine (PubChem CID 175004707) has the molecular formula C11H26N2O3Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine
PubChem CID175004707
Molecular FormulaC11H26N2O3Si
Molecular Weight262.43 g/mol
Exact Mass262.17
IUPAC Name1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCC(N)N1CC1)(OCC)OCC
InChIInChI=1S/C11H26N2O3Si/c1-4-14-17(15-5-2,16-6-3)10-7-11(12)13-8-9-13/h11H,4-10,12H2,1-3H3
InChIKeyMWCHBSGNDYOWFC-UHFFFAOYSA-N
XLogP1.03
TPSA56.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(1-triethoxysilylpropyl)ethane-1,1-diamine
CID 17789711
N'-(1-triethoxysilylpropyl)methanediamine
CID 21430833
N'-(3-triethoxysilylpropyl)methanediamine
CID 21951178
1-N'-(1-triethoxysilylethyl)propane-1,1-diamine
CID 22020518
1-N'-(3-triethoxysilylpropyl)ethane-1,1-diamine
CID 22169313
N-(3-trimethoxysilylpropyl)aziridin-2-amine
CID 58971652
1-N'-(1-aminoethyl)-1-N'-(1-trimethoxysilylpropyl)ethane-1,1-diamine
CID 87093678
1-N'-[1-[diethoxy(methyl)silyl]propyl]ethane-1,1-diamine
CID 87424967
1-N"-(3-triethoxysilylpropyl)ethane-1,1,1-triamine
CID 87425155
1-N'-(1-aminoethyl)-1-N'-(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 87556975
1-N'-iodo-1-N-(3-triethoxysilylpropyl)ethane-1,1-diamine
CID 87575032
1-N'-[1-[diethoxy(ethyl)silyl]propyl]ethane-1,1-diamine
CID 87899876

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine (CID 175004707) is 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine is CCO[Si](CCC(N)N1CC1)(OCC)OCC.
What is the InChIKey of 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine?
The InChIKey is MWCHBSGNDYOWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3Si/c1-4-14-17(15-5-2,16-6-3)10-7-11(12)13-8-9-13/h11H,4-10,12H2,1-3H3.
What are the key properties of 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine?
1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine has a molecular weight of 262.43 g/mol, XLogP of 1.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 175004707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).