1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine

C10H23NOSi — CID 175848206

IUPAC1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
SMILESCC=CC(N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23NOSi/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-9H,11H2,1-6H3
InChIKeySNGFGKWQOQVFHK-UHFFFAOYSA-N
MW201.39 g/mol
LogP2.87
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine

1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine (PubChem CID 175848206) has the molecular formula C10H23NOSi and a molecular weight of 201.39 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
PubChem CID175848206
Molecular FormulaC10H23NOSi
Molecular Weight201.39 g/mol
Exact Mass201.15
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
SMILESCC=CC(N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H23NOSi/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-9H,11H2,1-6H3
InChIKeySNGFGKWQOQVFHK-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
tert-butyl-[(E,1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylpent-3-enoxy]-dimethylsilane
CID 10693040
N-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-3-enamide
CID 73178317
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
CID 10266482

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine (CID 175848206) is 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine is CC=CC(N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine?
The InChIKey is SNGFGKWQOQVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOSi/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-9H,11H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine?
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine has a molecular weight of 201.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine is sourced from PubChem (CID 175848206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).