2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine

C22H24N3+ — CID 123305330

IUPAC2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine
SMILESCc1c(C=CC2=[N+](C)c3ccccc3C2(C)C)c2ccccc2n1N
InChIInChI=1S/C22H24N3/c1-15-16(17-9-5-7-11-19(17)25(15)23)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,23H2,1-4H3/q+1
InChIKeyPZXNHNHHOOQDCW-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.38
Rot. Bonds2

About 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine

2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine (PubChem CID 123305330) has the molecular formula C22H24N3+ and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine.

Molecular Properties

Compound Name2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine
PubChem CID123305330
Molecular FormulaC22H24N3+
Molecular Weight330.46 g/mol
Exact Mass330.20
IUPAC Name2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine
SMILESCc1c(C=CC2=[N+](C)c3ccccc3C2(C)C)c2ccccc2n1N
InChIInChI=1S/C22H24N3/c1-15-16(17-9-5-7-11-19(17)25(15)23)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,23H2,1-4H3/q+1
InChIKeyPZXNHNHHOOQDCW-UHFFFAOYSA-N
XLogP4.38
TPSA33.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(9-ethyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]carbazole);sulfate
CID 57354566
N-methyl-2-[(E)-2-methyl-3-methylidene-5-[2-methyl-1-[2-[2-[2-methyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-yl]ethyldisulfanyl]ethyl]indol-3-yl]pent-4-en-2-yl]aniline
CID 143779322
1,9-dimethyl-3-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]pyrido[3,4-b]indole iodide
CID 175114391
1,9-dimethyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]pyrido[3,4-b]indole iodide
CID 175352623
hydrogen sulfate;1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium
CID 74934976
2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenol
CID 6012065
5-chloro-1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium
CID 71066943
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
(2E)-1-ethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]benzo[cd]indole
CID 135770654
bis(5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium);sulfate
CID 74935186
methyl-[2-[(E)-2-methyl-5-[2-methyl-1-[2-[2-[2-[[2-[2-methyl-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-yl]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]indol-3-yl]pent-4-en-2-yl]phenyl]azanium
CID 143779309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine?
The IUPAC name of 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine (CID 123305330) is 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine.
What is the SMILES notation for 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine?
The canonical SMILES for 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine is Cc1c(C=CC2=[N+](C)c3ccccc3C2(C)C)c2ccccc2n1N.
What is the InChIKey of 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine?
The InChIKey is PZXNHNHHOOQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N3/c1-15-16(17-9-5-7-11-19(17)25(15)23)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,23H2,1-4H3/q+1.
What are the key properties of 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine?
2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine has a molecular weight of 330.46 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]indol-1-amine is sourced from PubChem (CID 123305330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).