N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine

C10H26N2O2Si — CID 173053211

IUPACN'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine
SMILESCCOC([SiH3])(CCCNCCN)OCC
InChIInChI=1S/C10H26N2O2Si/c1-3-13-10(15,14-4-2)6-5-8-12-9-7-11/h12H,3-9,11H2,1-2,15H3
InChIKeyOSQVFEKSMQMHHW-UHFFFAOYSA-N
MW234.42 g/mol
LogP-0.59
Rot. Bonds10

About N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine

N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine (PubChem CID 173053211) has the molecular formula C10H26N2O2Si and a molecular weight of 234.42 g/mol. Its IUPAC name is N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine
PubChem CID173053211
Molecular FormulaC10H26N2O2Si
Molecular Weight234.42 g/mol
Exact Mass234.18
IUPAC NameN'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine
SMILESCCOC([SiH3])(CCCNCCN)OCC
InChIInChI=1S/C10H26N2O2Si/c1-3-13-10(15,14-4-2)6-5-8-12-9-7-11/h12H,3-9,11H2,1-2,15H3
InChIKeyOSQVFEKSMQMHHW-UHFFFAOYSA-N
XLogP-0.59
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-ethoxypropan-2-yl)-14,14-dimethyl-4-octylpentadecyl]ethane-1,2-diamine
CID 150754771
N'-(2-aminoethyl)-4,4-dimethylheptane-1,7-diamine
CID 57136754
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-[3-(1,1,2-triethoxyethoxymethoxysilyl)propyl]ethane-1,2-diamine
CID 175274669
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-(7,7,7-trimethoxyheptyl)ethane-1,2-diamine
CID 162247771
N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
CID 121403391
[1,1-diethoxy-5-(oxiran-2-yl)pentyl]silane
CID 174996885

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine (CID 173053211) is N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine is CCOC([SiH3])(CCCNCCN)OCC.
What is the InChIKey of N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine?
The InChIKey is OSQVFEKSMQMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O2Si/c1-3-13-10(15,14-4-2)6-5-8-12-9-7-11/h12H,3-9,11H2,1-2,15H3.
What are the key properties of N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine?
N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine has a molecular weight of 234.42 g/mol, XLogP of -0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-diethoxy-4-silylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 173053211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).