(Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine

C24H35NOSi — CID 102280219

IUPAC(Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine
SMILESCC(C)(C)[Si](O)(/C=C(/c1ccccc1)C(N)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NOSi/c1-23(2,3)27(26,24(4,5)6)18-21(20-15-11-8-12-16-20)22(25)17-19-13-9-7-10-14-19/h7-16,18,22,26H,17,25H2,1-6H3/b21-18-
InChIKeyWHTKMPCNCBNVKP-UZYVYHOESA-N
MW381.64 g/mol
LogP5.72
Rot. Bonds5

About (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine

(Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine (PubChem CID 102280219) has the molecular formula C24H35NOSi and a molecular weight of 381.64 g/mol. Its IUPAC name is (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine
PubChem CID102280219
Molecular FormulaC24H35NOSi
Molecular Weight381.64 g/mol
Exact Mass381.25
IUPAC Name(Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine
SMILESCC(C)(C)[Si](O)(/C=C(/c1ccccc1)C(N)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NOSi/c1-23(2,3)27(26,24(4,5)6)18-21(20-15-11-8-12-16-20)22(25)17-19-13-9-7-10-14-19/h7-16,18,22,26H,17,25H2,1-6H3/b21-18-
InChIKeyWHTKMPCNCBNVKP-UZYVYHOESA-N
XLogP5.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.64
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-(benzhydrylideneamino)-2-deuterio-3-phenylpropanoate
CID 101192341
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
2-amino-3-phenylpropanoic acid;nitrous acid
CID 54766273
[ditert-butyl(phenyl)silyl] (2S)-2-amino-3-phenylpropanoate
CID 155614684
[1-[(2S)-2-amino-3-phenylpropanoyl]oxy-1-hydroxyethyl]phosphonic acid
CID 56978908
tert-butyl-[(Z)-2,3-diphenylprop-1-enyl]-dimethylsilane
CID 101151962
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
2-amino-N'-hydroxy-3-phenylpropanimidamide
CID 24972923

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine?
The IUPAC name of (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine (CID 102280219) is (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine is CC(C)(C)[Si](O)(/C=C(/c1ccccc1)C(N)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine?
The InChIKey is WHTKMPCNCBNVKP-UZYVYHOESA-N. The full InChI is InChI=1S/C24H35NOSi/c1-23(2,3)27(26,24(4,5)6)18-21(20-15-11-8-12-16-20)22(25)17-19-13-9-7-10-14-19/h7-16,18,22,26H,17,25H2,1-6H3/b21-18-.
What are the key properties of (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine?
(Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine has a molecular weight of 381.64 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[ditert-butyl(hydroxy)silyl]-1,3-diphenylbut-3-en-2-amine is sourced from PubChem (CID 102280219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).