1-[diacetyl-(3-aminopropylamino)silyl]ethanone

C9H18N2O3Si — CID 164579565

IUPAC1-[diacetyl-(3-aminopropylamino)silyl]ethanone
SMILESCC(=O)[Si](NCCCN)(C(C)=O)C(C)=O
InChIInChI=1S/C9H18N2O3Si/c1-7(12)15(8(2)13,9(3)14)11-6-4-5-10/h11H,4-6,10H2,1-3H3
InChIKeyAJEQCZACKYWXGF-UHFFFAOYSA-N
MW230.34 g/mol
LogP-0.75
Rot. Bonds7

About 1-[diacetyl-(3-aminopropylamino)silyl]ethanone

1-[diacetyl-(3-aminopropylamino)silyl]ethanone (PubChem CID 164579565) has the molecular formula C9H18N2O3Si and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-[diacetyl-(3-aminopropylamino)silyl]ethanone.

Molecular Properties

Compound Name1-[diacetyl-(3-aminopropylamino)silyl]ethanone
PubChem CID164579565
Molecular FormulaC9H18N2O3Si
Molecular Weight230.34 g/mol
Exact Mass230.11
IUPAC Name1-[diacetyl-(3-aminopropylamino)silyl]ethanone
SMILESCC(=O)[Si](NCCCN)(C(C)=O)C(C)=O
InChIInChI=1S/C9H18N2O3Si/c1-7(12)15(8(2)13,9(3)14)11-6-4-5-10/h11H,4-6,10H2,1-3H3
InChIKeyAJEQCZACKYWXGF-UHFFFAOYSA-N
XLogP-0.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[diacetyl-(3-aminopropylamino)silyl]ethanone?
The IUPAC name of 1-[diacetyl-(3-aminopropylamino)silyl]ethanone (CID 164579565) is 1-[diacetyl-(3-aminopropylamino)silyl]ethanone.
What is the SMILES notation for 1-[diacetyl-(3-aminopropylamino)silyl]ethanone?
The canonical SMILES for 1-[diacetyl-(3-aminopropylamino)silyl]ethanone is CC(=O)[Si](NCCCN)(C(C)=O)C(C)=O.
What is the InChIKey of 1-[diacetyl-(3-aminopropylamino)silyl]ethanone?
The InChIKey is AJEQCZACKYWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3Si/c1-7(12)15(8(2)13,9(3)14)11-6-4-5-10/h11H,4-6,10H2,1-3H3.
What are the key properties of 1-[diacetyl-(3-aminopropylamino)silyl]ethanone?
1-[diacetyl-(3-aminopropylamino)silyl]ethanone has a molecular weight of 230.34 g/mol, XLogP of -0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diacetyl-(3-aminopropylamino)silyl]ethanone is sourced from PubChem (CID 164579565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).