[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate

C10H22N2O4Si — CID 87568873

IUPAC[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CCCNCCN)OC(C)=O
InChIInChI=1S/C10H22N2O4Si/c1-9(13)15-17(3,16-10(2)14)8-4-6-12-7-5-11/h12H,4-8,11H2,1-3H3
InChIKeyMFYXWDQGJHXVTF-UHFFFAOYSA-N
MW262.38 g/mol
LogP0.12
Rot. Bonds8

About [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate

[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate (PubChem CID 87568873) has the molecular formula C10H22N2O4Si and a molecular weight of 262.38 g/mol. Its IUPAC name is [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
PubChem CID87568873
Molecular FormulaC10H22N2O4Si
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
SMILESCC(=O)O[Si](C)(CCCNCCN)OC(C)=O
InChIInChI=1S/C10H22N2O4Si/c1-9(13)15-17(3,16-10(2)14)8-4-6-12-7-5-11/h12H,4-8,11H2,1-3H3
InChIKeyMFYXWDQGJHXVTF-UHFFFAOYSA-N
XLogP0.12
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[diacetyloxy-[3-(2-aminoethylamino)propyl]silyl] acetate
CID 22457230
propan-2-one;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 175097855
[acetyloxy-[8-[diacetyloxy(methyl)silyl]octyl]-methylsilyl] acetate
CID 154117413
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
[acetyloxy-(aminomethyl)-methylsilyl] acetate
CID 23065806
potassium N'-[3-[dihydroxy(methyl)silyl]propyl]ethane-1,2-diamine
CID 134692490
N'-[3-[[hydroxy(dimethyl)silyl]oxy-[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine;methane
CID 158491492
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
N'-[3-[[methoxy(dimethyl)silyl]oxy-[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-methylsilyl]propyl]ethane-1,2-diamine
CID 156629335

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate?
The IUPAC name of [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate (CID 87568873) is [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate.
What is the SMILES notation for [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate?
The canonical SMILES for [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate is CC(=O)O[Si](C)(CCCNCCN)OC(C)=O.
What is the InChIKey of [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate?
The InChIKey is MFYXWDQGJHXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4Si/c1-9(13)15-17(3,16-10(2)14)8-4-6-12-7-5-11/h12H,4-8,11H2,1-3H3.
What are the key properties of [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate?
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate has a molecular weight of 262.38 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate is sourced from PubChem (CID 87568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).