2,6-diamino-1-triethoxysilylhexan-1-one

C12H28N2O4Si — CID 175136173

IUPAC2,6-diamino-1-triethoxysilylhexan-1-one
SMILESCCO[Si](OCC)(OCC)C(=O)C(N)CCCCN
InChIInChI=1S/C12H28N2O4Si/c1-4-16-19(17-5-2,18-6-3)12(15)11(14)9-7-8-10-13/h11H,4-10,13-14H2,1-3H3
InChIKeyWVZFKNDEFNNXJN-UHFFFAOYSA-N
MW292.45 g/mol
LogP0.60
Rot. Bonds12

About 2,6-diamino-1-triethoxysilylhexan-1-one

2,6-diamino-1-triethoxysilylhexan-1-one (PubChem CID 175136173) has the molecular formula C12H28N2O4Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 2,6-diamino-1-triethoxysilylhexan-1-one.

Molecular Properties

Compound Name2,6-diamino-1-triethoxysilylhexan-1-one
PubChem CID175136173
Molecular FormulaC12H28N2O4Si
Molecular Weight292.45 g/mol
Exact Mass292.18
IUPAC Name2,6-diamino-1-triethoxysilylhexan-1-one
SMILESCCO[Si](OCC)(OCC)C(=O)C(N)CCCCN
InChIInChI=1S/C12H28N2O4Si/c1-4-16-19(17-5-2,18-6-3)12(15)11(14)9-7-8-10-13/h11H,4-10,13-14H2,1-3H3
InChIKeyWVZFKNDEFNNXJN-UHFFFAOYSA-N
XLogP0.60
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 50.60
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

ethyl (2R)-2,6-diaminohexanoate
CID 7018921
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
diaminomethyl (2S)-2,6-diaminohexanoate
CID 87634064
pentan-3-yl (2S)-2,6-diaminohexanoate
CID 151791737
amino (2S)-2,6-diaminohexanoate
CID 18651785
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
1-[diethoxy(methyl)silyl]pentane-1,5-diamine
CID 174723153
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
S-methyl (2S)-2,6-diaminohexanethioate
CID 139683383
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1-triethoxysilylhexan-1-one?
The IUPAC name of 2,6-diamino-1-triethoxysilylhexan-1-one (CID 175136173) is 2,6-diamino-1-triethoxysilylhexan-1-one.
What is the SMILES notation for 2,6-diamino-1-triethoxysilylhexan-1-one?
The canonical SMILES for 2,6-diamino-1-triethoxysilylhexan-1-one is CCO[Si](OCC)(OCC)C(=O)C(N)CCCCN.
What is the InChIKey of 2,6-diamino-1-triethoxysilylhexan-1-one?
The InChIKey is WVZFKNDEFNNXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4Si/c1-4-16-19(17-5-2,18-6-3)12(15)11(14)9-7-8-10-13/h11H,4-10,13-14H2,1-3H3.
What are the key properties of 2,6-diamino-1-triethoxysilylhexan-1-one?
2,6-diamino-1-triethoxysilylhexan-1-one has a molecular weight of 292.45 g/mol, XLogP of 0.60, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-triethoxysilylhexan-1-one is sourced from PubChem (CID 175136173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).