N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine

C13H26N2O3Si — CID 123686023

IUPACN-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine
SMILESC=C[SiH2]OC(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C13H26N2O3Si/c1-8-19-18-13(16-14-11(6)9(2)3)17-15-12(7)10(4)5/h8,13-15H,1,19H2,2-7H3
InChIKeyATYHMNRMHKWJQW-UHFFFAOYSA-N
MW286.45 g/mol
LogP2.18
Rot. Bonds9

About N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine

N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine (PubChem CID 123686023) has the molecular formula C13H26N2O3Si and a molecular weight of 286.45 g/mol. Its IUPAC name is N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine
PubChem CID123686023
Molecular FormulaC13H26N2O3Si
Molecular Weight286.45 g/mol
Exact Mass286.17
IUPAC NameN-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine
SMILESC=C[SiH2]OC(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C13H26N2O3Si/c1-8-19-18-13(16-14-11(6)9(2)3)17-15-12(7)10(4)5/h8,13-15H,1,19H2,2-7H3
InChIKeyATYHMNRMHKWJQW-UHFFFAOYSA-N
XLogP2.18
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 52.18
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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Related Compounds

N-[ethenyl-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
CID 91370267
N-[1-ethenylsilyloxy-1-(3-methylbut-2-en-2-ylamino)oxyethoxy]-3-methylbut-2-en-2-amine
CID 123198900
3-methyl-N-[1-(3-methylbut-2-en-2-ylamino)oxy-1-methylsilyloxyethoxy]but-2-en-2-amine
CID 123322456
N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
CID 123427086
N-[methoxy-methyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
CID 123448033
3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-propylsilyl]oxybut-2-en-2-amine
CID 123450914
3-methyl-N-[(3-methylbut-2-en-2-ylamino)oxy-methylsilyloxymethoxy]but-2-en-2-amine
CID 123609152
N-[ethenyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
CID 123621595
N-[ethenyl-methoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
CID 123626113
N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine
CID 123660158
N-[ethyl-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
CID 123784121
N-[[ethenyl(methyl)silyl]oxymethoxy]-3-methylbut-2-en-2-amine
CID 123910667

Frequently Asked Questions

What is the IUPAC name of N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine?
The IUPAC name of N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine (CID 123686023) is N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine?
The canonical SMILES for N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine is C=C[SiH2]OC(ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine?
The InChIKey is ATYHMNRMHKWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3Si/c1-8-19-18-13(16-14-11(6)9(2)3)17-15-12(7)10(4)5/h8,13-15H,1,19H2,2-7H3.
What are the key properties of N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine?
N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine has a molecular weight of 286.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenylsilyloxy-(3-methylbut-2-en-2-ylamino)oxymethoxy]-3-methylbut-2-en-2-amine is sourced from PubChem (CID 123686023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).