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

C12H26N2O2Si — CID 123784121

IUPACN-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
SMILESCC[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C12H26N2O2Si/c1-8-17(15-13-11(6)9(2)3)16-14-12(7)10(4)5/h13-14,17H,8H2,1-7H3
InChIKeyKOCGXWBQTYOHEF-UHFFFAOYSA-N
MW258.44 g/mol
LogP2.90
Rot. Bonds7

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

N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (PubChem CID 123784121) has the molecular formula C12H26N2O2Si and a molecular weight of 258.44 g/mol. Its IUPAC name is N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
PubChem CID123784121
Molecular FormulaC12H26N2O2Si
Molecular Weight258.44 g/mol
Exact Mass258.18
IUPAC NameN-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
SMILESCC[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C12H26N2O2Si/c1-8-17(15-13-11(6)9(2)3)16-14-12(7)10(4)5/h13-14,17H,8H2,1-7H3
InChIKeyKOCGXWBQTYOHEF-UHFFFAOYSA-N
XLogP2.90
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 52.90
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 N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The IUPAC name of N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (CID 123784121) is N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The canonical SMILES for N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is CC[SiH](ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The InChIKey is KOCGXWBQTYOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2Si/c1-8-17(15-13-11(6)9(2)3)16-14-12(7)10(4)5/h13-14,17H,8H2,1-7H3.
What are the key properties of N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine has a molecular weight of 258.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is sourced from PubChem (CID 123784121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).