N'-(11-triethoxysilylundecyl)ethane-1,2-diamine

C19H44N2O3Si — CID 87195550

IUPACN'-(11-triethoxysilylundecyl)ethane-1,2-diamine
SMILESCCO[Si](CCCCCCCCCCCNCCN)(OCC)OCC
InChIInChI=1S/C19H44N2O3Si/c1-4-22-25(23-5-2,24-6-3)19-15-13-11-9-7-8-10-12-14-17-21-18-16-20/h21H,4-20H2,1-3H3
InChIKeyHQMIFEVVPBXKRP-UHFFFAOYSA-N
MW376.66 g/mol
LogP4.09
Rot. Bonds20

About N'-(11-triethoxysilylundecyl)ethane-1,2-diamine

N'-(11-triethoxysilylundecyl)ethane-1,2-diamine (PubChem CID 87195550) has the molecular formula C19H44N2O3Si and a molecular weight of 376.66 g/mol. Its IUPAC name is N'-(11-triethoxysilylundecyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(11-triethoxysilylundecyl)ethane-1,2-diamine
PubChem CID87195550
Molecular FormulaC19H44N2O3Si
Molecular Weight376.66 g/mol
Exact Mass376.31
IUPAC NameN'-(11-triethoxysilylundecyl)ethane-1,2-diamine
SMILESCCO[Si](CCCCCCCCCCCNCCN)(OCC)OCC
InChIInChI=1S/C19H44N2O3Si/c1-4-22-25(23-5-2,24-6-3)19-15-13-11-9-7-8-10-12-14-17-21-18-16-20/h21H,4-20H2,1-3H3
InChIKeyHQMIFEVVPBXKRP-UHFFFAOYSA-N
XLogP4.09
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623525
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N'-[3-[[[3-(2-aminoethylamino)propyl-diethoxysilyl]oxy-dimethylsilyl]oxy-diethoxysilyl]propyl]ethane-1,2-diamine
CID 169060435
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
CID 141439893
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 162079222
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931

Frequently Asked Questions

What is the IUPAC name of N'-(11-triethoxysilylundecyl)ethane-1,2-diamine?
The IUPAC name of N'-(11-triethoxysilylundecyl)ethane-1,2-diamine (CID 87195550) is N'-(11-triethoxysilylundecyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(11-triethoxysilylundecyl)ethane-1,2-diamine?
The canonical SMILES for N'-(11-triethoxysilylundecyl)ethane-1,2-diamine is CCO[Si](CCCCCCCCCCCNCCN)(OCC)OCC.
What is the InChIKey of N'-(11-triethoxysilylundecyl)ethane-1,2-diamine?
The InChIKey is HQMIFEVVPBXKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N2O3Si/c1-4-22-25(23-5-2,24-6-3)19-15-13-11-9-7-8-10-12-14-17-21-18-16-20/h21H,4-20H2,1-3H3.
What are the key properties of N'-(11-triethoxysilylundecyl)ethane-1,2-diamine?
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine has a molecular weight of 376.66 g/mol, XLogP of 4.09, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(11-triethoxysilylundecyl)ethane-1,2-diamine is sourced from PubChem (CID 87195550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).