N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine

C20H41N3O3Si — CID 57264517

IUPACN-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine
SMILESCC[Si](ONC(C)=CC(C)C)(ONC(C)=CC(C)C)ONC(C)=CC(C)C
InChIInChI=1S/C20H41N3O3Si/c1-11-27(24-21-18(8)12-15(2)3,25-22-19(9)13-16(4)5)26-23-20(10)14-17(6)7/h12-17,21-23H,11H2,1-10H3
InChIKeyXZPUQZWTPKUHQF-UHFFFAOYSA-N
MW399.65 g/mol
LogP5.19
Rot. Bonds13

About N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine

N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine (PubChem CID 57264517) has the molecular formula C20H41N3O3Si and a molecular weight of 399.65 g/mol. Its IUPAC name is N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine.

Molecular Properties

Compound NameN-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine
PubChem CID57264517
Molecular FormulaC20H41N3O3Si
Molecular Weight399.65 g/mol
Exact Mass399.29
IUPAC NameN-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine
SMILESCC[Si](ONC(C)=CC(C)C)(ONC(C)=CC(C)C)ONC(C)=CC(C)C
InChIInChI=1S/C20H41N3O3Si/c1-11-27(24-21-18(8)12-15(2)3,25-22-19(9)13-16(4)5)26-23-20(10)14-17(6)7/h12-17,21-23H,11H2,1-10H3
InChIKeyXZPUQZWTPKUHQF-UHFFFAOYSA-N
XLogP5.19
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.65
LogP ≤ 55.19
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-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine?
The IUPAC name of N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine (CID 57264517) is N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine.
What is the SMILES notation for N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine?
The canonical SMILES for N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine is CC[Si](ONC(C)=CC(C)C)(ONC(C)=CC(C)C)ONC(C)=CC(C)C.
What is the InChIKey of N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine?
The InChIKey is XZPUQZWTPKUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O3Si/c1-11-27(24-21-18(8)12-15(2)3,25-22-19(9)13-16(4)5)26-23-20(10)14-17(6)7/h12-17,21-23H,11H2,1-10H3.
What are the key properties of N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine?
N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine has a molecular weight of 399.65 g/mol, XLogP of 5.19, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-bis[(4-methylpent-2-en-2-ylamino)oxy]silyl]oxy-4-methylpent-2-en-2-amine is sourced from PubChem (CID 57264517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).