1-[amino(dimethyl)silyl]butane-2,3-dione

C6H13NO2Si — CID 174861322

IUPAC1-[amino(dimethyl)silyl]butane-2,3-dione
SMILESCC(=O)C(=O)C[Si](C)(C)N
InChIInChI=1S/C6H13NO2Si/c1-5(8)6(9)4-10(2,3)7/h4,7H2,1-3H3
InChIKeyWQZWXSTXLDQPGU-UHFFFAOYSA-N
MW159.26 g/mol
LogP0.31
Rot. Bonds3

About 1-[amino(dimethyl)silyl]butane-2,3-dione

1-[amino(dimethyl)silyl]butane-2,3-dione (PubChem CID 174861322) has the molecular formula C6H13NO2Si and a molecular weight of 159.26 g/mol. Its IUPAC name is 1-[amino(dimethyl)silyl]butane-2,3-dione.

Molecular Properties

Compound Name1-[amino(dimethyl)silyl]butane-2,3-dione
PubChem CID174861322
Molecular FormulaC6H13NO2Si
Molecular Weight159.26 g/mol
Exact Mass159.07
IUPAC Name1-[amino(dimethyl)silyl]butane-2,3-dione
SMILESCC(=O)C(=O)C[Si](C)(C)N
InChIInChI=1S/C6H13NO2Si/c1-5(8)6(9)4-10(2,3)7/h4,7H2,1-3H3
InChIKeyWQZWXSTXLDQPGU-UHFFFAOYSA-N
XLogP0.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[amino(dimethyl)silyl]butane-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-aminobutane-2,3-dione;azane
CID 87428205
2,3-dioxobutane-1-sulfinic acid
CID 154406405
CID 159579687
CID 159579687
europium;pentane-2,3-dione
CID 162017929
pentane-2,3-dione;vanadium
CID 157322907
neodymium;pentane-2,3-dione
CID 160925961
CID 161186115
CID 161186115
1-(2-aminoethylamino)butane-2,3-dione
CID 57071284
hydrazine;propan-2-one;dihydrate
CID 18407837
aminomethyl acetate;hydrate
CID 173252999
disodium;ethane-1,2-diamine;diacetate;dihydrate
CID 172826063
zinc;2-oxopropanoate;trihydrate
CID 18364061

Frequently Asked Questions

What is the IUPAC name of 1-[amino(dimethyl)silyl]butane-2,3-dione?
The IUPAC name of 1-[amino(dimethyl)silyl]butane-2,3-dione (CID 174861322) is 1-[amino(dimethyl)silyl]butane-2,3-dione.
What is the SMILES notation for 1-[amino(dimethyl)silyl]butane-2,3-dione?
The canonical SMILES for 1-[amino(dimethyl)silyl]butane-2,3-dione is CC(=O)C(=O)C[Si](C)(C)N.
What is the InChIKey of 1-[amino(dimethyl)silyl]butane-2,3-dione?
The InChIKey is WQZWXSTXLDQPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2Si/c1-5(8)6(9)4-10(2,3)7/h4,7H2,1-3H3.
What are the key properties of 1-[amino(dimethyl)silyl]butane-2,3-dione?
1-[amino(dimethyl)silyl]butane-2,3-dione has a molecular weight of 159.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(dimethyl)silyl]butane-2,3-dione is sourced from PubChem (CID 174861322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).