N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine

C25H25N3 — CID 123263622

IUPACN-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine
SMILESCCc1ccc2[nH]cc(CC/N=C(\C)c3cccc(-c4ccncc4)c3)c2c1
InChIInChI=1S/C25H25N3/c1-3-19-7-8-25-24(15-19)23(17-28-25)11-14-27-18(2)21-5-4-6-22(16-21)20-9-12-26-13-10-20/h4-10,12-13,15-17,28H,3,11,14H2,1-2H3/b27-18+
InChIKeyJTNFWUITRCVVGP-OVVQPSECSA-N
MW367.50 g/mol
LogP5.84
Rot. Bonds6

About N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine

N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine (PubChem CID 123263622) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine
PubChem CID123263622
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine
SMILESCCc1ccc2[nH]cc(CC/N=C(\C)c3cccc(-c4ccncc4)c3)c2c1
InChIInChI=1S/C25H25N3/c1-3-19-7-8-25-24(15-19)23(17-28-25)11-14-27-18(2)21-5-4-6-22(16-21)20-9-12-26-13-10-20/h4-10,12-13,15-17,28H,3,11,14H2,1-2H3/b27-18+
InChIKeyJTNFWUITRCVVGP-OVVQPSECSA-N
XLogP5.84
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-[N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]phenyl]benzonitrile
CID 123972225
N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-[3-(2-fluorophenyl)phenyl]ethanimine
CID 123794883
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
1-[2-(5-ethyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105486018
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
5-ethyl-3-[2-[3-[1-[3-[(4-methoxyphenyl)methyl]phenyl]ethenyl]cyclopropen-1-yl]ethyl]-1H-indole
CID 123366328
2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate
CID 29685
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
CID 111800596

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine?
The IUPAC name of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine (CID 123263622) is N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine.
What is the SMILES notation for N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine?
The canonical SMILES for N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine is CCc1ccc2[nH]cc(CC/N=C(\C)c3cccc(-c4ccncc4)c3)c2c1.
What is the InChIKey of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine?
The InChIKey is JTNFWUITRCVVGP-OVVQPSECSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-19-7-8-25-24(15-19)23(17-28-25)11-14-27-18(2)21-5-4-6-22(16-21)20-9-12-26-13-10-20/h4-10,12-13,15-17,28H,3,11,14H2,1-2H3/b27-18+.
What are the key properties of N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine?
N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine has a molecular weight of 367.50 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-indol-3-yl)ethyl]-1-(3-pyridin-4-ylphenyl)ethanimine is sourced from PubChem (CID 123263622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).