N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine

C13H33N3O3Si — CID 15212054

IUPACN'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine
SMILESCCO[Si](CCCNCCNCCN)(OCC)OCC
InChIInChI=1S/C13H33N3O3Si/c1-4-17-20(18-5-2,19-6-3)13-7-9-15-11-12-16-10-8-14/h15-16H,4-14H2,1-3H3
InChIKeyVNRDAMBPFDPXSM-UHFFFAOYSA-N
MW307.51 g/mol
LogP0.56
Rot. Bonds15

About N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine

N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine (PubChem CID 15212054) has the molecular formula C13H33N3O3Si and a molecular weight of 307.51 g/mol. Its IUPAC name is N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine
PubChem CID15212054
Molecular FormulaC13H33N3O3Si
Molecular Weight307.51 g/mol
Exact Mass307.23
IUPAC NameN'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine
SMILESCCO[Si](CCCNCCNCCN)(OCC)OCC
InChIInChI=1S/C13H33N3O3Si/c1-4-17-20(18-5-2,19-6-3)13-7-9-15-11-12-16-10-8-14/h15-16H,4-14H2,1-3H3
InChIKeyVNRDAMBPFDPXSM-UHFFFAOYSA-N
XLogP0.56
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 50.56
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine (CID 15212054) is N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine is CCO[Si](CCCNCCNCCN)(OCC)OCC.
What is the InChIKey of N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
The InChIKey is VNRDAMBPFDPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N3O3Si/c1-4-17-20(18-5-2,19-6-3)13-7-9-15-11-12-16-10-8-14/h15-16H,4-14H2,1-3H3.
What are the key properties of N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine?
N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine has a molecular weight of 307.51 g/mol, XLogP of 0.56, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-triethoxysilylpropylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 15212054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).