1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine

C20H27NSi — CID 101362394

IUPAC1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine
SMILESC=CCC(c1ccccc1)(N(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H27NSi/c1-6-17-20(21(2)3,18-13-9-7-10-14-18)22(4,5)19-15-11-8-12-16-19/h6-16H,1,17H2,2-5H3
InChIKeyXLCLZAIOTKSVBN-UHFFFAOYSA-N
MW309.53 g/mol
LogP4.17
Rot. Bonds6

About 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine

1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine (PubChem CID 101362394) has the molecular formula C20H27NSi and a molecular weight of 309.53 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine
PubChem CID101362394
Molecular FormulaC20H27NSi
Molecular Weight309.53 g/mol
Exact Mass309.19
IUPAC Name1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine
SMILESC=CCC(c1ccccc1)(N(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H27NSi/c1-6-17-20(21(2)3,18-13-9-7-10-14-18)22(4,5)19-15-11-8-12-16-19/h6-16H,1,17H2,2-5H3
InChIKeyXLCLZAIOTKSVBN-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dimethyl-phenyl-[(2S)-2-phenylbut-3-en-2-yl]silane
CID 71712694
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
1-phenylbut-3-ene-1,1-diol
CID 134892936
N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine
CID 13042201
[1-cyclobutyl-1-[dimethyl(phenyl)silyl]but-3-enoxy]-dimethyl-phenylsilane
CID 101213388
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
4-propylhept-1-en-4-ylbenzene
CID 123221616
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine?
The IUPAC name of 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine (CID 101362394) is 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine is C=CCC(c1ccccc1)(N(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine?
The InChIKey is XLCLZAIOTKSVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NSi/c1-6-17-20(21(2)3,18-13-9-7-10-14-18)22(4,5)19-15-11-8-12-16-19/h6-16H,1,17H2,2-5H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine?
1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine has a molecular weight of 309.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]-N,N-dimethyl-1-phenylbut-3-en-1-amine is sourced from PubChem (CID 101362394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).