N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine

C12H25NO4Si — CID 173014001

IUPACN-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine
SMILESCCO[SiH](CCCCN(C1CO1)C1CO1)OCC
InChIInChI=1S/C12H25NO4Si/c1-3-16-18(17-4-2)8-6-5-7-13(11-9-14-11)12-10-15-12/h11-12,18H,3-10H2,1-2H3
InChIKeyXPXJZQXFYMUNGF-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.07
Rot. Bonds11

About N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine

N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine (PubChem CID 173014001) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine.

Molecular Properties

Compound NameN-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine
PubChem CID173014001
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC NameN-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine
SMILESCCO[SiH](CCCCN(C1CO1)C1CO1)OCC
InChIInChI=1S/C12H25NO4Si/c1-3-16-18(17-4-2)8-6-5-7-13(11-9-14-11)12-10-15-12/h11-12,18H,3-10H2,1-2H3
InChIKeyXPXJZQXFYMUNGF-UHFFFAOYSA-N
XLogP1.07
TPSA46.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine
CID 123412814
9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
diethoxy(tetracosyl)silane
CID 151502912
4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine
CID 173014058
4-dimethoxysilyl-N,N-bis(oxiran-2-ylmethyl)butan-1-amine
CID 173013917
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
7-bromoheptyl(diethoxy)silane
CID 174144161
3-diethoxysilylpropyl(triethoxy)silane
CID 123524141
benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
CID 173125357
dimethoxy-[7-(oxiran-2-ylmethoxy)heptyl]silane
CID 173197488
2-(4-diethoxysilylbutylamino)ethanol
CID 173106587

Frequently Asked Questions

What is the IUPAC name of N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine?
The IUPAC name of N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine (CID 173014001) is N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine.
What is the SMILES notation for N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine?
The canonical SMILES for N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine is CCO[SiH](CCCCN(C1CO1)C1CO1)OCC.
What is the InChIKey of N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine?
The InChIKey is XPXJZQXFYMUNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-3-16-18(17-4-2)8-6-5-7-13(11-9-14-11)12-10-15-12/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine?
N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine has a molecular weight of 275.42 g/mol, XLogP of 1.07, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine is sourced from PubChem (CID 173014001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).