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

C13H31N3O3Si — CID 168864834

IUPAC1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
SMILESC=C(N)NCCNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31N3O3Si/c1-5-17-20(18-6-2,19-7-3)12-8-9-15-10-11-16-13(4)14/h15-16H,4-12,14H2,1-3H3
InChIKeyBCUFGUGYQPGZMY-UHFFFAOYSA-N
MW305.50 g/mol
LogP1.03
Rot. Bonds14

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

1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine (PubChem CID 168864834) has the molecular formula C13H31N3O3Si and a molecular weight of 305.50 g/mol. Its IUPAC name is 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
PubChem CID168864834
Molecular FormulaC13H31N3O3Si
Molecular Weight305.50 g/mol
Exact Mass305.21
IUPAC Name1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine
SMILESC=C(N)NCCNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H31N3O3Si/c1-5-17-20(18-6-2,19-7-3)12-8-9-15-10-11-16-13(4)14/h15-16H,4-12,14H2,1-3H3
InChIKeyBCUFGUGYQPGZMY-UHFFFAOYSA-N
XLogP1.03
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 51.03
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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Related Compounds

N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
2-[2-(3-triethoxysilylpropylamino)ethyl]guanidine
CID 59649171
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
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
bis[2-(3-triethoxysilylpropylamino)ethyl] butanedioate
CID 174636831
silane;3-triethoxysilylpropylurea
CID 161180470
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
CID 141439893
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine (CID 168864834) is 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine is C=C(N)NCCNCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine?
The InChIKey is BCUFGUGYQPGZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O3Si/c1-5-17-20(18-6-2,19-7-3)12-8-9-15-10-11-16-13(4)14/h15-16H,4-12,14H2,1-3H3.
What are the key properties of 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine?
1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine has a molecular weight of 305.50 g/mol, XLogP of 1.03, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(3-triethoxysilylpropylamino)ethyl]ethene-1,1-diamine is sourced from PubChem (CID 168864834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).