N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine

C14H34N2O5Si — CID 175274669

IUPACN'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine
SMILESCCOCC(OCC)(OCC)OCO[SiH2]CCCNCCN
InChIInChI=1S/C14H34N2O5Si/c1-4-17-12-14(18-5-2,19-6-3)20-13-21-22-11-7-9-16-10-8-15/h16H,4-13,15,22H2,1-3H3
InChIKeyIYVBLLROZRBIMX-UHFFFAOYSA-N
MW338.52 g/mol
LogP0.18
Rot. Bonds17

About N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine

N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine (PubChem CID 175274669) has the molecular formula C14H34N2O5Si and a molecular weight of 338.52 g/mol. Its IUPAC name is N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine
PubChem CID175274669
Molecular FormulaC14H34N2O5Si
Molecular Weight338.52 g/mol
Exact Mass338.22
IUPAC NameN'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine
SMILESCCOCC(OCC)(OCC)OCO[SiH2]CCCNCCN
InChIInChI=1S/C14H34N2O5Si/c1-4-17-12-14(18-5-2,19-6-3)20-13-21-22-11-7-9-16-10-8-15/h16H,4-13,15,22H2,1-3H3
InChIKeyIYVBLLROZRBIMX-UHFFFAOYSA-N
XLogP0.18
TPSA84.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine
CID 173053211
N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine
CID 172843842
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
N'-[3-(trimethoxymethylsilyl)propyl]ethane-1,2-diamine
CID 154228048
1-(2,2,2-triethoxyethoxy)propane
CID 10751414
N-(3,3,3-triethoxypropyl)undecan-1-amine
CID 159840900
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
3-methoxysilyl-N-propylpropan-1-amine
CID 123623979
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
CID 150976644
N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
CID 143711406
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-[3-(dimethoxymethylsilyl)propyl]ethane-1,2-diamine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 162079222

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine (CID 175274669) is N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine is CCOCC(OCC)(OCC)OCO[SiH2]CCCNCCN.
What is the InChIKey of N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine?
The InChIKey is IYVBLLROZRBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N2O5Si/c1-4-17-12-14(18-5-2,19-6-3)20-13-21-22-11-7-9-16-10-8-15/h16H,4-13,15,22H2,1-3H3.
What are the key properties of N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine?
N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine has a molecular weight of 338.52 g/mol, XLogP of 0.18, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 175274669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).