N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine

C21H22N2 — CID 11347194

IUPACN-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine
SMILESC=C(C)Cn1cc(/C(C)=N/Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2/c1-16(2)14-23-15-20(19-11-7-8-12-21(19)23)17(3)22-13-18-9-5-4-6-10-18/h4-12,15H,1,13-14H2,2-3H3/b22-17+
InChIKeyKWEOQVRELNEYJO-OQKWZONESA-N
MW302.42 g/mol
LogP5.23
Rot. Bonds5

About N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine

N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine (PubChem CID 11347194) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine.

Molecular Properties

Compound NameN-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine
PubChem CID11347194
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine
SMILESC=C(C)Cn1cc(/C(C)=N/Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2/c1-16(2)14-23-15-20(19-11-7-8-12-21(19)23)17(3)22-13-18-9-5-4-6-10-18/h4-12,15H,1,13-14H2,2-3H3/b22-17+
InChIKeyKWEOQVRELNEYJO-OQKWZONESA-N
XLogP5.23
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-[1-[(3-carbamimidoylphenyl)methyl]indol-3-yl]ethylideneamino]methyl]benzenecarboximidamide
CID 91348222
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
[(E)-1-(1-methylindol-3-yl)ethylideneamino] 2-phenylacetate
CID 126609690
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
1-[5-bromo-1-(2-methylprop-2-enyl)indol-3-yl]ethanone
CID 117098702
2-(3-butanoylindol-1-yl)-N-(2-phenylethyl)acetamide
CID 4655442
N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
CID 145105527

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine?
The IUPAC name of N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine (CID 11347194) is N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine.
What is the SMILES notation for N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine?
The canonical SMILES for N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine is C=C(C)Cn1cc(/C(C)=N/Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine?
The InChIKey is KWEOQVRELNEYJO-OQKWZONESA-N. The full InChI is InChI=1S/C21H22N2/c1-16(2)14-23-15-20(19-11-7-8-12-21(19)23)17(3)22-13-18-9-5-4-6-10-18/h4-12,15H,1,13-14H2,2-3H3/b22-17+.
What are the key properties of N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine?
N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine has a molecular weight of 302.42 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanimine is sourced from PubChem (CID 11347194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).