2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine

C14H33NO2Si2 — CID 173231233

IUPAC2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine
SMILESCCCC(N)[SiH]1CCCCO1.C[Si]1(C)CCCCO1
InChIInChI=1S/C8H19NOSi.C6H14OSi/c1-2-5-8(9)11-7-4-3-6-10-11;1-8(2)6-4-3-5-7-8/h8,11H,2-7,9H2,1H3;3-6H2,1-2H3
InChIKeyZRAPCBKCOPJDDZ-UHFFFAOYSA-N
MW303.59 g/mol
LogP3.19
Rot. Bonds3

About 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine

2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine (PubChem CID 173231233) has the molecular formula C14H33NO2Si2 and a molecular weight of 303.59 g/mol. Its IUPAC name is 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine
PubChem CID173231233
Molecular FormulaC14H33NO2Si2
Molecular Weight303.59 g/mol
Exact Mass303.20
IUPAC Name2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine
SMILESCCCC(N)[SiH]1CCCCO1.C[Si]1(C)CCCCO1
InChIInChI=1S/C8H19NOSi.C6H14OSi/c1-2-5-8(9)11-7-4-3-6-10-11;1-8(2)6-4-3-5-7-8/h8,11H,2-7,9H2,1H3;3-6H2,1-2H3
InChIKeyZRAPCBKCOPJDDZ-UHFFFAOYSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine (CID 173231233) is 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine is CCCC(N)[SiH]1CCCCO1.C[Si]1(C)CCCCO1.
What is the InChIKey of 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine?
The InChIKey is ZRAPCBKCOPJDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOSi.C6H14OSi/c1-2-5-8(9)11-7-4-3-6-10-11;1-8(2)6-4-3-5-7-8/h8,11H,2-7,9H2,1H3;3-6H2,1-2H3.
What are the key properties of 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine?
2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine has a molecular weight of 303.59 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxasilinane;1-(oxasilinan-2-yl)butan-1-amine is sourced from PubChem (CID 173231233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).