3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine

C11H28N2O2Si — CID 141113321

IUPAC3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
SMILESCCO[Si](CC)(CCCN)OC(C)CCN
InChIInChI=1S/C11H28N2O2Si/c1-4-14-16(5-2,10-6-8-12)15-11(3)7-9-13/h11H,4-10,12-13H2,1-3H3
InChIKeyZGSJFMIWRLMFBZ-UHFFFAOYSA-N
MW248.44 g/mol
LogP1.59
Rot. Bonds10

About 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine

3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine (PubChem CID 141113321) has the molecular formula C11H28N2O2Si and a molecular weight of 248.44 g/mol. Its IUPAC name is 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine.

Molecular Properties

Compound Name3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
PubChem CID141113321
Molecular FormulaC11H28N2O2Si
Molecular Weight248.44 g/mol
Exact Mass248.19
IUPAC Name3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine
SMILESCCO[Si](CC)(CCCN)OC(C)CCN
InChIInChI=1S/C11H28N2O2Si/c1-4-14-16(5-2,10-6-8-12)15-11(3)7-9-13/h11H,4-10,12-13H2,1-3H3
InChIKeyZGSJFMIWRLMFBZ-UHFFFAOYSA-N
XLogP1.59
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoethoxy-ethoxy-ethylsilyl)propan-1-amine
CID 174975378
3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
CID 174395414
4-[3-aminopropyl(diethyl)silyl]oxypentan-1-amine
CID 89315317
4-[ethoxy(dimethyl)silyl]oxypentan-1-amine
CID 141359979
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
CID 58773749
5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate
CID 141125272
N'-[3-(3-aminopropyl-ethoxy-methylsilyl)oxybutyl]ethane-1,2-diamine
CID 141116193
3-[diethoxy(ethyl)silyl]propyl-diethoxy-ethylsilane
CID 20761011
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine
CID 141368865
4-[diethoxy(propyl)silyl]butan-1-amine
CID 139765357
1-bromoethoxy-ethoxy-ethyl-propylsilane
CID 175040221

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine?
The IUPAC name of 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine (CID 141113321) is 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine.
What is the SMILES notation for 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine?
The canonical SMILES for 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine is CCO[Si](CC)(CCCN)OC(C)CCN.
What is the InChIKey of 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine?
The InChIKey is ZGSJFMIWRLMFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O2Si/c1-4-14-16(5-2,10-6-8-12)15-11(3)7-9-13/h11H,4-10,12-13H2,1-3H3.
What are the key properties of 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine?
3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine has a molecular weight of 248.44 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl-ethoxy-ethylsilyl)oxybutan-1-amine is sourced from PubChem (CID 141113321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).