N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline

C19H23N2+ — CID 58659925

IUPACN,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline
SMILESCN(C)c1ccc(C2=[N+](C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C19H23N2/c1-19(2)16-8-6-7-9-17(16)21(5)18(19)14-10-12-15(13-11-14)20(3)4/h6-13H,1-5H3/q+1
InChIKeyUGOBXPYUHWTQPU-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.81
Rot. Bonds2

About N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline

N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline (PubChem CID 58659925) has the molecular formula C19H23N2+ and a molecular weight of 279.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline
PubChem CID58659925
Molecular FormulaC19H23N2+
Molecular Weight279.41 g/mol
Exact Mass279.19
IUPAC NameN,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline
SMILESCN(C)c1ccc(C2=[N+](C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C19H23N2/c1-19(2)16-8-6-7-9-17(16)21(5)18(19)14-10-12-15(13-11-14)20(3)4/h6-13H,1-5H3/q+1
InChIKeyUGOBXPYUHWTQPU-UHFFFAOYSA-N
XLogP3.81
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', '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
1,3,3-trimethylindol-1-ium-2-amine
CID 11346035
1,2,3,3-tetramethylindol-1-ium chloride
CID 12524874
4-[(E)-(10,10-dimethyl-7,8-dihydro-6H-pyrido[1,2-a]indol-5-ium-9-ylidene)methyl]-N,N-dimethylaniline perchlorate
CID 12545837
N,N-dimethyl-4-[2-(1,3,3-trimethyl-1,2-benzazasilol-1-ium-2-yl)ethenyl]aniline
CID 123780097
N-ethyl-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
CID 58381857
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
1-N,3-N-dimethyl-1-N,3-N-bis[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]benzene-1,3-diamine
CID 42631548
1,3,3-trimethyl-2-[(E)-3-methylbut-1-enyl]indol-1-ium
CID 147182916
1,3,3-trimethyl-2-(2-methylsulfanylethenyl)indol-1-ium
CID 71396886
dihydrogen phosphate;N,4-dimethyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
CID 57358818
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline (CID 58659925) is N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline is CN(C)c1ccc(C2=[N+](C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline?
The InChIKey is UGOBXPYUHWTQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2/c1-19(2)16-8-6-7-9-17(16)21(5)18(19)14-10-12-15(13-11-14)20(3)4/h6-13H,1-5H3/q+1.
What are the key properties of N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline?
N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline has a molecular weight of 279.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1,3,3-trimethylindol-1-ium-2-yl)aniline is sourced from PubChem (CID 58659925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).