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

C13H33N3O3Si — CID 87217216

IUPAC1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
SMILESCCO[Si](OCC)(OCC)C(CC)NC(C)NC(C)N
InChIInChI=1S/C13H33N3O3Si/c1-7-13(16-12(6)15-11(5)14)20(17-8-2,18-9-3)19-10-4/h11-13,15-16H,7-10,14H2,1-6H3
InChIKeyXQWGFOSINRUOKW-UHFFFAOYSA-N
MW307.51 g/mol
LogP1.18
Rot. Bonds12

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

1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine (PubChem CID 87217216) has the molecular formula C13H33N3O3Si and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
PubChem CID87217216
Molecular FormulaC13H33N3O3Si
Molecular Weight307.51 g/mol
Exact Mass307.23
IUPAC Name1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine
SMILESCCO[Si](OCC)(OCC)C(CC)NC(C)NC(C)N
InChIInChI=1S/C13H33N3O3Si/c1-7-13(16-12(6)15-11(5)14)20(17-8-2,18-9-3)19-10-4/h11-13,15-16H,7-10,14H2,1-6H3
InChIKeyXQWGFOSINRUOKW-UHFFFAOYSA-N
XLogP1.18
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine
CID 87142531
N-propyl-1-triethoxysilylpropan-1-amine
CID 87094166
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
acetic acid;N'-(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 173156526
2-chloro-N-(1-triethoxysilylpropyl)acetamide
CID 18353899
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
CID 175408992
ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
CID 88707038
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
(amino-ethoxy-ethylsilyl)oxyethane;1-triethoxysilylethanamine
CID 87963460
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
3-(1-aminopropyl-ethoxy-methoxysilyl)oxybutan-2-ol
CID 141086045

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine (CID 87217216) is 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine is CCO[Si](OCC)(OCC)C(CC)NC(C)NC(C)N.
What is the InChIKey of 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine?
The InChIKey is XQWGFOSINRUOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N3O3Si/c1-7-13(16-12(6)15-11(5)14)20(17-8-2,18-9-3)19-10-4/h11-13,15-16H,7-10,14H2,1-6H3.
What are the key properties of 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine?
1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine has a molecular weight of 307.51 g/mol, XLogP of 1.18, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(1-triethoxysilylpropylamino)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 87217216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).