1-butylaziridine;triethoxysilane

C12H29NO3Si — CID 173013888

IUPAC1-butylaziridine;triethoxysilane
SMILESCCCCN1CC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H13N.C6H16O3Si/c1-2-3-4-7-5-6-7;1-4-7-10(8-5-2)9-6-3/h2-6H2,1H3;10H,4-6H2,1-3H3
InChIKeyWBEJVPMISUDGQW-UHFFFAOYSA-N
MW263.45 g/mol
LogP1.92
Rot. Bonds9

About 1-butylaziridine;triethoxysilane

1-butylaziridine;triethoxysilane (PubChem CID 173013888) has the molecular formula C12H29NO3Si and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-butylaziridine;triethoxysilane.

Molecular Properties

Compound Name1-butylaziridine;triethoxysilane
PubChem CID173013888
Molecular FormulaC12H29NO3Si
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name1-butylaziridine;triethoxysilane
SMILESCCCCN1CC1.CCO[SiH](OCC)OCC
InChIInChI=1S/C6H13N.C6H16O3Si/c1-2-3-4-7-5-6-7;1-4-7-10(8-5-2)9-6-3/h2-6H2,1H3;10H,4-6H2,1-3H3
InChIKeyWBEJVPMISUDGQW-UHFFFAOYSA-N
XLogP1.92
TPSA30.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butylazetidine;triethoxysilane
CID 173012120
hexadecane;triethoxysilane
CID 164978259
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
CID 168901441
1-butylazetidine;ethane
CID 143628082
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
1-butylpyrrolidine;diethoxysilane
CID 173014045
sulfane;triethoxysilane
CID 173007277
ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
CID 134088083

Frequently Asked Questions

What is the IUPAC name of 1-butylaziridine;triethoxysilane?
The IUPAC name of 1-butylaziridine;triethoxysilane (CID 173013888) is 1-butylaziridine;triethoxysilane.
What is the SMILES notation for 1-butylaziridine;triethoxysilane?
The canonical SMILES for 1-butylaziridine;triethoxysilane is CCCCN1CC1.CCO[SiH](OCC)OCC.
What is the InChIKey of 1-butylaziridine;triethoxysilane?
The InChIKey is WBEJVPMISUDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H16O3Si/c1-2-3-4-7-5-6-7;1-4-7-10(8-5-2)9-6-3/h2-6H2,1H3;10H,4-6H2,1-3H3.
What are the key properties of 1-butylaziridine;triethoxysilane?
1-butylaziridine;triethoxysilane has a molecular weight of 263.45 g/mol, XLogP of 1.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylaziridine;triethoxysilane is sourced from PubChem (CID 173013888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).