4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine

C13H31NO2Si — CID 123941682

IUPAC4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine
SMILESCCCC[SiH](CCC(C)(C)CN)C(OC)OC
InChIInChI=1S/C13H31NO2Si/c1-6-7-9-17(12(15-4)16-5)10-8-13(2,3)11-14/h12,17H,6-11,14H2,1-5H3
InChIKeyXPQSVTCJFQBOHG-UHFFFAOYSA-N
MW261.48 g/mol
LogP2.55
Rot. Bonds10

About 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine

4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine (PubChem CID 123941682) has the molecular formula C13H31NO2Si and a molecular weight of 261.48 g/mol. Its IUPAC name is 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine
PubChem CID123941682
Molecular FormulaC13H31NO2Si
Molecular Weight261.48 g/mol
Exact Mass261.21
IUPAC Name4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine
SMILESCCCC[SiH](CCC(C)(C)CN)C(OC)OC
InChIInChI=1S/C13H31NO2Si/c1-6-7-9-17(12(15-4)16-5)10-8-13(2,3)11-14/h12,17H,6-11,14H2,1-5H3
InChIKeyXPQSVTCJFQBOHG-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[dimethoxymethyl(ethyl)silyl]-2,2-dimethylbutan-1-amine
CID 123996692
2,2-dimethyloctan-1-amine
CID 62739423
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
4-dimethylsilyl-2,2-dimethylbutan-1-amine
CID 150831427
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
2,2-dimethyl-5-pentan-2-yloxypentan-1-amine
CID 102980855
4-butylsulfinyl-2,2-dimethylbutan-1-amine
CID 81329579
4-[dimethoxy(propyl)silyl]-2,2-dimethylbutan-1-amine
CID 174966823
butyl-tert-butyl-(1-methoxypropoxy)silane
CID 173316566
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine (CID 123941682) is 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine is CCCC[SiH](CCC(C)(C)CN)C(OC)OC.
What is the InChIKey of 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine?
The InChIKey is XPQSVTCJFQBOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO2Si/c1-6-7-9-17(12(15-4)16-5)10-8-13(2,3)11-14/h12,17H,6-11,14H2,1-5H3.
What are the key properties of 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine?
4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine has a molecular weight of 261.48 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(dimethoxymethyl)silyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 123941682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).