N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline

C22H26N2 — CID 163481075

IUPACN-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)C/C=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H26N2/c1-16-17(18-10-5-7-13-20(18)24-16)11-9-15-22(2,3)19-12-6-8-14-21(19)23-4/h5-14,23-24H,15H2,1-4H3/b11-9+
InChIKeyCEOOWAGLDVWYTH-PKNBQFBNSA-N
MW318.46 g/mol
LogP5.90
Rot. Bonds5

About N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline

N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline (PubChem CID 163481075) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline
PubChem CID163481075
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline
SMILESCNc1ccccc1C(C)(C)C/C=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C22H26N2/c1-16-17(18-10-5-7-13-20(18)24-16)11-9-15-22(2,3)19-12-6-8-14-21(19)23-4/h5-14,23-24H,15H2,1-4H3/b11-9+
InChIKeyCEOOWAGLDVWYTH-PKNBQFBNSA-N
XLogP5.90
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 132502200
tert-butyl N-[3-(2-methyl-1H-indol-3-yl)prop-2-enyl]carbamate
CID 169468877
N,1-dimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-amine iodide
CID 71818676
(E)-6-(2-methyl-1H-indol-3-yl)hex-5-enoic acid
CID 82293705
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole chloride
CID 45488273
N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline
CID 15305921
2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3125241

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline?
The IUPAC name of N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline (CID 163481075) is N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline?
The canonical SMILES for N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline is CNc1ccccc1C(C)(C)C/C=C/c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline?
The InChIKey is CEOOWAGLDVWYTH-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H26N2/c1-16-17(18-10-5-7-13-20(18)24-16)11-9-15-22(2,3)19-12-6-8-14-21(19)23-4/h5-14,23-24H,15H2,1-4H3/b11-9+.
What are the key properties of N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline?
N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline has a molecular weight of 318.46 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(E)-2-methyl-5-(2-methyl-1H-indol-3-yl)pent-4-en-2-yl]aniline is sourced from PubChem (CID 163481075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).