1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine

C16H24N2 — CID 82924833

IUPAC1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
SMILESCCC(CC)Cn1c(CNC)cc2ccccc21
InChIInChI=1S/C16H24N2/c1-4-13(5-2)12-18-15(11-17-3)10-14-8-6-7-9-16(14)18/h6-10,13,17H,4-5,11-12H2,1-3H3
InChIKeyQULBKJWGXLCUER-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.80
Rot. Bonds6

About 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine

1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine (PubChem CID 82924833) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
PubChem CID82924833
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
SMILESCCC(CC)Cn1c(CNC)cc2ccccc21
InChIInChI=1S/C16H24N2/c1-4-13(5-2)12-18-15(11-17-3)10-14-8-6-7-9-16(14)18/h6-10,13,17H,4-5,11-12H2,1-3H3
InChIKeyQULBKJWGXLCUER-UHFFFAOYSA-N
XLogP3.80
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutyl)-2-methylindole
CID 82925203
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 65490558
N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
CID 106731932
1-(1-fluoroindol-2-yl)-N-methylmethanamine
CID 68501353
1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 115984349
1-[1-[(4-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 107887996
di(butan-2-yl)-[(2-butan-2-ylindol-1-yl)methyl]borane
CID 101156509
methanamine;3-[2-[2-[[2-[3-[2-(methylaminomethyl)indol-1-yl]propanoylamino]acetyl]amino]ethoxy]ethoxy]propanoic acid;propanoic acid
CID 144853507
2-bromo-1-ethylindole
CID 20753566
2-ethyl-1-hydroxyindole
CID 22747467
N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
CID 106731933

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine (CID 82924833) is 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine is CCC(CC)Cn1c(CNC)cc2ccccc21.
What is the InChIKey of 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine?
The InChIKey is QULBKJWGXLCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13(5-2)12-18-15(11-17-3)10-14-8-6-7-9-16(14)18/h6-10,13,17H,4-5,11-12H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine?
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82924833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).