3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride

C12H30ClNO3Si — CID 86759587

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride
SMILESCOC(OC)C(CCN)O[Si](C)(C)C(C)(C)C.Cl
InChIInChI=1S/C12H29NO3Si.ClH/c1-12(2,3)17(6,7)16-10(8-9-13)11(14-4)15-5;/h10-11H,8-9,13H2,1-7H3;1H
InChIKeyUHYGJVKDJNYKMW-UHFFFAOYSA-N
MW299.92 g/mol
LogP2.77
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride

3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride (PubChem CID 86759587) has the molecular formula C12H30ClNO3Si and a molecular weight of 299.92 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride
PubChem CID86759587
Molecular FormulaC12H30ClNO3Si
Molecular Weight299.92 g/mol
Exact Mass299.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride
SMILESCOC(OC)C(CCN)O[Si](C)(C)C(C)(C)C.Cl
InChIInChI=1S/C12H29NO3Si.ClH/c1-12(2,3)17(6,7)16-10(8-9-13)11(14-4)15-5;/h10-11H,8-9,13H2,1-7H3;1H
InChIKeyUHYGJVKDJNYKMW-UHFFFAOYSA-N
XLogP2.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.92
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride (CID 86759587) is 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride is COC(OC)C(CCN)O[Si](C)(C)C(C)(C)C.Cl.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride?
The InChIKey is UHYGJVKDJNYKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO3Si.ClH/c1-12(2,3)17(6,7)16-10(8-9-13)11(14-4)15-5;/h10-11H,8-9,13H2,1-7H3;1H.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride?
3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride has a molecular weight of 299.92 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethoxybutan-1-amine;hydrochloride is sourced from PubChem (CID 86759587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).