3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine

C13H28N2O3Si — CID 123322456

IUPAC3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine
SMILESC[SiH2]OC(C)(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C13H28N2O3Si/c1-9(2)11(5)14-16-13(7,18-19-8)17-15-12(6)10(3)4/h14-15H,19H2,1-8H3
InChIKeyZFADWHUOTSLNMC-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.48
Rot. Bonds8

About 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine

3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine (PubChem CID 123322456) has the molecular formula C13H28N2O3Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine
PubChem CID123322456
Molecular FormulaC13H28N2O3Si
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine
SMILESC[SiH2]OC(C)(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C13H28N2O3Si/c1-9(2)11(5)14-16-13(7,18-19-8)17-15-12(6)10(3)4/h14-15H,19H2,1-8H3
InChIKeyZFADWHUOTSLNMC-UHFFFAOYSA-N
XLogP2.48
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine?
The IUPAC name of 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine (CID 123322456) is 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine?
The canonical SMILES for 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine is C[SiH2]OC(C)(ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine?
The InChIKey is ZFADWHUOTSLNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3Si/c1-9(2)11(5)14-16-13(7,18-19-8)17-15-12(6)10(3)4/h14-15H,19H2,1-8H3.
What are the key properties of 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine?
3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine has a molecular weight of 288.46 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine is sourced from PubChem (CID 123322456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).