1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine

C16H24N2 — CID 82924593

IUPAC1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
SMILESCCC(CC)Cn1ccc2ccc(CNC)cc21
InChIInChI=1S/C16H24N2/c1-4-13(5-2)12-18-9-8-15-7-6-14(11-17-3)10-16(15)18/h6-10,13,17H,4-5,11-12H2,1-3H3
InChIKeyIPUSXJUSLZDDBU-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.80
Rot. Bonds6

About 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine

1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine (PubChem CID 82924593) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
PubChem CID82924593
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
SMILESCCC(CC)Cn1ccc2ccc(CNC)cc21
InChIInChI=1S/C16H24N2/c1-4-13(5-2)12-18-9-8-15-7-6-14(11-17-3)10-16(15)18/h6-10,13,17H,4-5,11-12H2,1-3H3
InChIKeyIPUSXJUSLZDDBU-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

2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
1-(1-hept-6-enylindol-6-yl)-N-methylmethanamine
CID 107010398
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916609
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
CID 102916629
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
N-methyl-1-[1-(2-pyridin-2-ylethyl)indol-6-yl]methanamine
CID 102916586
2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 102916558

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine (CID 82924593) is 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine is CCC(CC)Cn1ccc2ccc(CNC)cc21.
What is the InChIKey of 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine?
The InChIKey is IPUSXJUSLZDDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13(5-2)12-18-9-8-15-7-6-14(11-17-3)10-16(15)18/h6-10,13,17H,4-5,11-12H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine?
1-[1-(2-ethylbutyl)indol-6-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-6-yl]-N-methylmethanamine is sourced from PubChem (CID 82924593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).