N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine

C9H22N2O3Si — CID 57072988

IUPACN-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine
SMILESCC=C(C)NO[Si](CCCN)(OC)OC
InChIInChI=1S/C9H22N2O3Si/c1-5-9(2)11-14-15(12-3,13-4)8-6-7-10/h5,11H,6-8,10H2,1-4H3
InChIKeyVTDWBMZHYOIUQL-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.01
Rot. Bonds8

About N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine

N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine (PubChem CID 57072988) has the molecular formula C9H22N2O3Si and a molecular weight of 234.37 g/mol. Its IUPAC name is N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine.

Molecular Properties

Compound NameN-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine
PubChem CID57072988
Molecular FormulaC9H22N2O3Si
Molecular Weight234.37 g/mol
Exact Mass234.14
IUPAC NameN-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine
SMILESCC=C(C)NO[Si](CCCN)(OC)OC
InChIInChI=1S/C9H22N2O3Si/c1-5-9(2)11-14-15(12-3,13-4)8-6-7-10/h5,11H,6-8,10H2,1-4H3
InChIKeyVTDWBMZHYOIUQL-UHFFFAOYSA-N
XLogP1.01
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine?
The IUPAC name of N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine (CID 57072988) is N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine.
What is the SMILES notation for N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine?
The canonical SMILES for N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine is CC=C(C)NO[Si](CCCN)(OC)OC.
What is the InChIKey of N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine?
The InChIKey is VTDWBMZHYOIUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3Si/c1-5-9(2)11-14-15(12-3,13-4)8-6-7-10/h5,11H,6-8,10H2,1-4H3.
What are the key properties of N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine?
N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine has a molecular weight of 234.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine is sourced from PubChem (CID 57072988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).