4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine

C14H27NOSSi — CID 18354459

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(CN)c1cccs1
InChIInChI=1S/C14H27NOSSi/c1-14(2,3)18(4,5)16-9-8-12(11-15)13-7-6-10-17-13/h6-7,10,12H,8-9,11,15H2,1-5H3
InChIKeyLDZCZXBDTVBPLB-UHFFFAOYSA-N
MW285.53 g/mol
LogP4.20
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine

4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine (PubChem CID 18354459) has the molecular formula C14H27NOSSi and a molecular weight of 285.53 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine
PubChem CID18354459
Molecular FormulaC14H27NOSSi
Molecular Weight285.53 g/mol
Exact Mass285.16
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(CN)c1cccs1
InChIInChI=1S/C14H27NOSSi/c1-14(2,3)18(4,5)16-9-8-12(11-15)13-7-6-10-17-13/h6-7,10,12H,8-9,11,15H2,1-5H3
InChIKeyLDZCZXBDTVBPLB-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutyl]-3,4,5-trimethoxy-2-methylbenzamide
CID 57220170
tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
CID 140913096
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
tert-butyl-dimethyl-[(1S)-1-thiophen-2-ylprop-2-enoxy]silane
CID 102114871
(3S)-4-amino-3-thiophen-2-ylbutanal
CID 143655944
tert-butyl-(3-dimethoxyphosphoryl-3-phenylpropoxy)-dimethylsilane
CID 15108858
tert-butyl-dimethyl-thiophen-2-yloxysilane
CID 11053031
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
N',N'-dipropyl-2-thiophen-2-ylpropane-1,3-diamine
CID 82107436
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine (CID 18354459) is 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine is CC(C)(C)[Si](C)(C)OCCC(CN)c1cccs1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine?
The InChIKey is LDZCZXBDTVBPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOSSi/c1-14(2,3)18(4,5)16-9-8-12(11-15)13-7-6-10-17-13/h6-7,10,12H,8-9,11,15H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine?
4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine has a molecular weight of 285.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 18354459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).