N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline

C20H25N2Si+ — CID 123780097

IUPACN,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline
SMILESCN(C)c1ccc(C=C[Si]2=[N+](C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H25N2Si/c1-20(2)18-8-6-7-9-19(18)22(5)23(20)15-14-16-10-12-17(13-11-16)21(3)4/h6-15H,1-5H3/q+1
InChIKeyALOJBDKHBLQGLF-UHFFFAOYSA-N
MW321.52 g/mol
LogP4.37
Rot. Bonds3

About N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline

N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline (PubChem CID 123780097) has the molecular formula C20H25N2Si+ and a molecular weight of 321.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline
PubChem CID123780097
Molecular FormulaC20H25N2Si+
Molecular Weight321.52 g/mol
Exact Mass321.18
IUPAC NameN,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline
SMILESCN(C)c1ccc(C=C[Si]2=[N+](C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C20H25N2Si/c1-20(2)18-8-6-7-9-19(18)22(5)23(20)15-14-16-10-12-17(13-11-16)21(3)4/h6-15H,1-5H3/q+1
InChIKeyALOJBDKHBLQGLF-UHFFFAOYSA-N
XLogP4.37
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tris(N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);phosphate
CID 20839663
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3,3,5,7,7-hexamethylpyrrolo[2,3-f]indole-1,5-diium-6-yl]ethenyl]-N,N-dimethylaniline
CID 59022261
N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline
CID 58659925
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
N-ethyl-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
CID 58381857
4-[(1E,3E)-4-[2-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-1,3,3,5,7,7-hexamethylpyrrolo[2,3-f]indole-1,5-diium-6-yl]buta-1,3-dienyl]-N,N-dimethylaniline
CID 25031108
4-[(E)-2-(2-fluorophenyl)ethenyl]-N,N-dimethylaniline
CID 6538416
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-[(1E,3E)-4-(1'-ethylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)buta-1,3-dienyl]-N,N-dimethylaniline
CID 118403591

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline (CID 123780097) is N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline is CN(C)c1ccc(C=C[Si]2=[N+](C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline?
The InChIKey is ALOJBDKHBLQGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2Si/c1-20(2)18-8-6-7-9-19(18)22(5)23(20)15-14-16-10-12-17(13-11-16)21(3)4/h6-15H,1-5H3/q+1.
What are the key properties of N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline?
N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline has a molecular weight of 321.52 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline is sourced from PubChem (CID 123780097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).