N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine

C15H20N2 — CID 79186431

IUPACN-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
SMILESC=C(C)Cn1ccc2c(CNCC)cccc21
InChIInChI=1S/C15H20N2/c1-4-16-10-13-6-5-7-15-14(13)8-9-17(15)11-12(2)3/h5-9,16H,2,4,10-11H2,1,3H3
InChIKeyWFWCGFUDZVGLNE-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine

N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine (PubChem CID 79186431) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
PubChem CID79186431
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
SMILESC=C(C)Cn1ccc2c(CNCC)cccc21
InChIInChI=1S/C15H20N2/c1-4-16-10-13-6-5-7-15-14(13)8-9-17(15)11-12(2)3/h5-9,16H,2,4,10-11H2,1,3H3
InChIKeyWFWCGFUDZVGLNE-UHFFFAOYSA-N
XLogP3.33
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine (CID 79186431) is N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine is C=C(C)Cn1ccc2c(CNCC)cccc21.
What is the InChIKey of N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine?
The InChIKey is WFWCGFUDZVGLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-16-10-13-6-5-7-15-14(13)8-9-17(15)11-12(2)3/h5-9,16H,2,4,10-11H2,1,3H3.
What are the key properties of N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine?
N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine has a molecular weight of 228.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79186431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).