3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine

C13H28N2O2Si — CID 123450914

IUPAC3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine
SMILESCCC[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C13H28N2O2Si/c1-8-9-18(16-14-12(6)10(2)3)17-15-13(7)11(4)5/h14-15,18H,8-9H2,1-7H3
InChIKeyXGEFTBFHMDLEAQ-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.29
Rot. Bonds8

About 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine

3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine (PubChem CID 123450914) has the molecular formula C13H28N2O2Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine
PubChem CID123450914
Molecular FormulaC13H28N2O2Si
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine
SMILESCCC[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C13H28N2O2Si/c1-8-9-18(16-14-12(6)10(2)3)17-15-13(7)11(4)5/h14-15,18H,8-9H2,1-7H3
InChIKeyXGEFTBFHMDLEAQ-UHFFFAOYSA-N
XLogP3.29
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-propylsilyl]oxybut-2-en-2-amine?
The IUPAC name of 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine (CID 123450914) is 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine?
The canonical SMILES for 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine is CCC[SiH](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-propylsilyl]oxybut-2-en-2-amine?
The InChIKey is XGEFTBFHMDLEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2Si/c1-8-9-18(16-14-12(6)10(2)3)17-15-13(7)11(4)5/h14-15,18H,8-9H2,1-7H3.
What are the key properties of 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine?
3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine has a molecular weight of 272.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine is sourced from PubChem (CID 123450914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).