N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine

C13H32N2OSi — CID 174730947

IUPACN'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine
SMILESCCCCC(CCCC)(CNCCN)[SiH2]OC
InChIInChI=1S/C13H32N2OSi/c1-4-6-8-13(17-16-3,9-7-5-2)12-15-11-10-14/h15H,4-12,14,17H2,1-3H3
InChIKeyCZUIFJYXXSTPNG-UHFFFAOYSA-N
MW260.50 g/mol
LogP1.80
Rot. Bonds12

About N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine

N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine (PubChem CID 174730947) has the molecular formula C13H32N2OSi and a molecular weight of 260.50 g/mol. Its IUPAC name is N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine
PubChem CID174730947
Molecular FormulaC13H32N2OSi
Molecular Weight260.50 g/mol
Exact Mass260.23
IUPAC NameN'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine
SMILESCCCCC(CCCC)(CNCCN)[SiH2]OC
InChIInChI=1S/C13H32N2OSi/c1-4-6-8-13(17-16-3,9-7-5-2)12-15-11-10-14/h15H,4-12,14,17H2,1-3H3
InChIKeyCZUIFJYXXSTPNG-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
CID 18520345
CID 18520345
N'-[2-(2-phenylethyl)-2-(trimethoxymethyl)decyl]ethane-1,2-diamine
CID 150040596
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
bis(5-butylnonan-5-yl)silane
CID 173414247
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
CID 121403391
azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine
CID 172681094
azane;N'-propylethane-1,2-diamine
CID 87476258
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779

Frequently Asked Questions

What is the IUPAC name of N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine (CID 174730947) is N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine is CCCCC(CCCC)(CNCCN)[SiH2]OC.
What is the InChIKey of N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine?
The InChIKey is CZUIFJYXXSTPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N2OSi/c1-4-6-8-13(17-16-3,9-7-5-2)12-15-11-10-14/h15H,4-12,14,17H2,1-3H3.
What are the key properties of N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine?
N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine has a molecular weight of 260.50 g/mol, XLogP of 1.80, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butyl-2-methoxysilylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 174730947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).