1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine

C16H27NOSi — CID 66693822

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
SMILESC=CC(N)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NOSi/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7-12,14-15H,1,17H2,2-6H3
InChIKeyPQCAXCTXUCXJSL-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.26
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine (PubChem CID 66693822) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
PubChem CID66693822
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
SMILESC=CC(N)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NOSi/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7-12,14-15H,1,17H2,2-6H3
InChIKeyPQCAXCTXUCXJSL-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]pent-4-enoate
CID 101058399
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(4-phenylphenyl)ethoxy]-dimethylsilane
CID 11467474
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
ethyl 2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-phenylpropanoate
CID 132548533
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine (CID 66693822) is 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine is C=CC(N)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
The InChIKey is PQCAXCTXUCXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7-12,14-15H,1,17H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.26, 5 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]oxy-1-phenylbut-3-en-2-amine is sourced from PubChem (CID 66693822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).