2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine

C12H30N4O3Si — CID 59649171

IUPAC2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
SMILESCCO[Si](CCCNCCN=C(N)N)(OCC)OCC
InChIInChI=1S/C12H30N4O3Si/c1-4-17-20(18-5-2,19-6-3)11-7-8-15-9-10-16-12(13)14/h15H,4-11H2,1-3H3,(H4,13,14,16)
InChIKeyXBISPZKGDFNUJN-UHFFFAOYSA-N
MW306.48 g/mol
LogP0.29
Rot. Bonds13

About 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine

2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine (PubChem CID 59649171) has the molecular formula C12H30N4O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
PubChem CID59649171
Molecular FormulaC12H30N4O3Si
Molecular Weight306.48 g/mol
Exact Mass306.21
IUPAC Name2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
SMILESCCO[Si](CCCNCCN=C(N)N)(OCC)OCC
InChIInChI=1S/C12H30N4O3Si/c1-4-17-20(18-5-2,19-6-3)11-7-8-15-9-10-16-12(13)14/h15H,4-11H2,1-3H3,(H4,13,14,16)
InChIKeyXBISPZKGDFNUJN-UHFFFAOYSA-N
XLogP0.29
TPSA104.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine
CID 123500215
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
CID 168864834
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
CID 11355939
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831
2-[2-[2-(diaminomethylideneamino)ethylamino]ethyl]guanidine;dihydrochloride
CID 56843687
silane;3-triethoxysilylpropylurea
CID 161180470
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine (CID 59649171) is 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine is CCO[Si](CCCNCCN=C(N)N)(OCC)OCC.
What is the InChIKey of 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine?
The InChIKey is XBISPZKGDFNUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4O3Si/c1-4-17-20(18-5-2,19-6-3)11-7-8-15-9-10-16-12(13)14/h15H,4-11H2,1-3H3,(H4,13,14,16).
What are the key properties of 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine?
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine has a molecular weight of 306.48 g/mol, XLogP of 0.29, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine is sourced from PubChem (CID 59649171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).