N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine

C12H26N2O3Si — CID 123448033

IUPACN-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
SMILESCO[Si](C)(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C12H26N2O3Si/c1-9(2)11(5)13-16-18(8,15-7)17-14-12(6)10(3)4/h13-14H,1-8H3
InChIKeyBLWHOQKGGFTPHH-UHFFFAOYSA-N
MW274.44 g/mol
LogP2.87
Rot. Bonds7

About N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine

N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (PubChem CID 123448033) has the molecular formula C12H26N2O3Si and a molecular weight of 274.44 g/mol. Its IUPAC name is N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
PubChem CID123448033
Molecular FormulaC12H26N2O3Si
Molecular Weight274.44 g/mol
Exact Mass274.17
IUPAC NameN-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
SMILESCO[Si](C)(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C12H26N2O3Si/c1-9(2)11(5)13-16-18(8,15-7)17-14-12(6)10(3)4/h13-14H,1-8H3
InChIKeyBLWHOQKGGFTPHH-UHFFFAOYSA-N
XLogP2.87
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The IUPAC name of N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (CID 123448033) is N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The canonical SMILES for N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is CO[Si](C)(ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The InChIKey is BLWHOQKGGFTPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3Si/c1-9(2)11(5)13-16-18(8,15-7)17-14-12(6)10(3)4/h13-14H,1-8H3.
What are the key properties of N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine has a molecular weight of 274.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is sourced from PubChem (CID 123448033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).