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

C12H26N2O3Si — CID 123609152

IUPAC3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine
SMILESC[SiH2]OC(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C12H26N2O3Si/c1-8(2)10(5)13-15-12(17-18-7)16-14-11(6)9(3)4/h12-14H,18H2,1-7H3
InChIKeyVQNGMYGKPMLEAD-UHFFFAOYSA-N
MW274.44 g/mol
LogP2.09
Rot. Bonds8

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

3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine (PubChem CID 123609152) has the molecular formula C12H26N2O3Si and a molecular weight of 274.44 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine
PubChem CID123609152
Molecular FormulaC12H26N2O3Si
Molecular Weight274.44 g/mol
Exact Mass274.17
IUPAC Name3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine
SMILESC[SiH2]OC(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C12H26N2O3Si/c1-8(2)10(5)13-15-12(17-18-7)16-14-11(6)9(3)4/h12-14H,18H2,1-7H3
InChIKeyVQNGMYGKPMLEAD-UHFFFAOYSA-N
XLogP2.09
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 52.09
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-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine?
The IUPAC name of 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine (CID 123609152) is 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine?
The canonical SMILES for 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine is C[SiH2]OC(ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine?
The InChIKey is VQNGMYGKPMLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3Si/c1-8(2)10(5)13-15-12(17-18-7)16-14-11(6)9(3)4/h12-14H,18H2,1-7H3.
What are the key properties of 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine?
3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine has a molecular weight of 274.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine is sourced from PubChem (CID 123609152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).