N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine

C14H27N3O3Si — CID 57008599

IUPACN-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine
SMILESC=C[Si](ONC(C)=CC)(ONC(C)=CC)ONC(C)=CC
InChIInChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h8-11,15-17H,4H2,1-3,5-7H3
InChIKeyPXNMFIHYULCNIY-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.99
Rot. Bonds10

About N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine

N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine (PubChem CID 57008599) has the molecular formula C14H27N3O3Si and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine.

Molecular Properties

Compound NameN-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine
PubChem CID57008599
Molecular FormulaC14H27N3O3Si
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine
SMILESC=C[Si](ONC(C)=CC)(ONC(C)=CC)ONC(C)=CC
InChIInChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h8-11,15-17H,4H2,1-3,5-7H3
InChIKeyPXNMFIHYULCNIY-UHFFFAOYSA-N
XLogP2.99
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine?
The IUPAC name of N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine (CID 57008599) is N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine.
What is the SMILES notation for N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine?
The canonical SMILES for N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine is C=C[Si](ONC(C)=CC)(ONC(C)=CC)ONC(C)=CC.
What is the InChIKey of N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine?
The InChIKey is PXNMFIHYULCNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3Si/c1-8-12(5)15-18-21(11-4,19-16-13(6)9-2)20-17-14(7)10-3/h8-11,15-17H,4H2,1-3,5-7H3.
What are the key properties of N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine?
N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine has a molecular weight of 313.47 g/mol, XLogP of 2.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine is sourced from PubChem (CID 57008599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).