[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine

C14H20N2S — CID 113474456

IUPAC[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
SMILESCCSCCCn1ccc2cccc(CN)c21
InChIInChI=1S/C14H20N2S/c1-2-17-10-4-8-16-9-7-12-5-3-6-13(11-15)14(12)16/h3,5-7,9H,2,4,8,10-11,15H2,1H3
InChIKeyPORNEOAOHOWYPM-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.24
Rot. Bonds6

About [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine

[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine (PubChem CID 113474456) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
PubChem CID113474456
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
SMILESCCSCCCn1ccc2cccc(CN)c21
InChIInChI=1S/C14H20N2S/c1-2-17-10-4-8-16-9-7-12-5-3-6-13(11-15)14(12)16/h3,5-7,9H,2,4,8,10-11,15H2,1H3
InChIKeyPORNEOAOHOWYPM-UHFFFAOYSA-N
XLogP3.24
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
5-[7-(aminomethyl)indol-1-yl]-2,2-dimethylpentanenitrile
CID 102913556
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
4-[7-(aminomethyl)indol-1-yl]-2-methylbutan-2-ol
CID 102913373
2-(1-propylindol-7-yl)ethanamine
CID 102917066
[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-7-yl]methanamine
CID 103005659
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
CID 102917352

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine?
The IUPAC name of [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine (CID 113474456) is [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine.
What is the SMILES notation for [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine?
The canonical SMILES for [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine is CCSCCCn1ccc2cccc(CN)c21.
What is the InChIKey of [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine?
The InChIKey is PORNEOAOHOWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-17-10-4-8-16-9-7-12-5-3-6-13(11-15)14(12)16/h3,5-7,9H,2,4,8,10-11,15H2,1H3.
What are the key properties of [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine?
[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine has a molecular weight of 248.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine is sourced from PubChem (CID 113474456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).