N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine

C16H24N2O — CID 62564592

IUPACN-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCn1ccc2cc(OC)ccc21
InChIInChI=1S/C16H24N2O/c1-4-14(5-2)17-9-11-18-10-8-13-12-15(19-3)6-7-16(13)18/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3
InChIKeyNASVKGFTFJCCGO-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine

N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine (PubChem CID 62564592) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
PubChem CID62564592
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine
SMILESCCC(CC)NCCn1ccc2cc(OC)ccc21
InChIInChI=1S/C16H24N2O/c1-4-14(5-2)17-9-11-18-10-8-13-12-15(19-3)6-7-16(13)18/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3
InChIKeyNASVKGFTFJCCGO-UHFFFAOYSA-N
XLogP3.43
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
N-[(5-methoxyindol-1-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 46704016
N-[2-(5-methylindol-1-yl)ethyl]butan-2-amine
CID 63556189
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
3-chloro-N-[2-(5-methoxyindol-1-yl)ethyl]aniline
CID 63506789
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
(2R,3S)-2-[3-(5-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid
CID 124647642
(2S)-3-(5-methoxyindol-1-yl)-2-(methylamino)propan-1-ol
CID 178146609

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine?
The IUPAC name of N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine (CID 62564592) is N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine is CCC(CC)NCCn1ccc2cc(OC)ccc21.
What is the InChIKey of N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine?
The InChIKey is NASVKGFTFJCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14(5-2)17-9-11-18-10-8-13-12-15(19-3)6-7-16(13)18/h6-8,10,12,14,17H,4-5,9,11H2,1-3H3.
What are the key properties of N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine?
N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxyindol-1-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 62564592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).