3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine

C15H33NO2Si — CID 123811394

IUPAC3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine
SMILESCCCCCC/N=C/CC[SiH2]CC(OCC)OCC
InChIInChI=1S/C15H33NO2Si/c1-4-7-8-9-11-16-12-10-13-19-14-15(17-5-2)18-6-3/h12,15H,4-11,13-14,19H2,1-3H3/b16-12+
InChIKeyJVTXPYZKNKSSCP-FOWTUZBSSA-N
MW287.52 g/mol
LogP3.43
Rot. Bonds14

About 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine

3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine (PubChem CID 123811394) has the molecular formula C15H33NO2Si and a molecular weight of 287.52 g/mol. Its IUPAC name is 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine.

Molecular Properties

Compound Name3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine
PubChem CID123811394
Molecular FormulaC15H33NO2Si
Molecular Weight287.52 g/mol
Exact Mass287.23
IUPAC Name3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine
SMILESCCCCCC/N=C/CC[SiH2]CC(OCC)OCC
InChIInChI=1S/C15H33NO2Si/c1-4-7-8-9-11-16-12-10-13-19-14-15(17-5-2)18-6-3/h12,15H,4-11,13-14,19H2,1-3H3/b16-12+
InChIKeyJVTXPYZKNKSSCP-FOWTUZBSSA-N
XLogP3.43
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-didecylpentane-1,5-diimine
CID 118371796
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
2,2-diethoxyethyl(hex-5-enyl)silane
CID 151959610
N-(3-trimethoxysilylpropyl)hexan-1-imine
CID 87448623
3-heptyliminopropyl propanoate
CID 175487113
3-(2,2-diethoxyethylsilyl)-N-methylpropan-1-amine
CID 154465129
N-dodecyl-3-[ethenyl(dimethyl)silyl]propan-1-imine
CID 87397255
5-(butylideneamino)pentan-1-amine
CID 58308982
3-[dimethyl(prop-1-enyl)silyl]-N-hexylpropan-1-imine
CID 173072145

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine?
The IUPAC name of 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine (CID 123811394) is 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine.
What is the SMILES notation for 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine?
The canonical SMILES for 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine is CCCCCC/N=C/CC[SiH2]CC(OCC)OCC.
What is the InChIKey of 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine?
The InChIKey is JVTXPYZKNKSSCP-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H33NO2Si/c1-4-7-8-9-11-16-12-10-13-19-14-15(17-5-2)18-6-3/h12,15H,4-11,13-14,19H2,1-3H3/b16-12+.
What are the key properties of 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine?
3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine has a molecular weight of 287.52 g/mol, XLogP of 3.43, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyethylsilyl)-N-hexylpropan-1-imine is sourced from PubChem (CID 123811394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).