N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine

C15H22N2S — CID 107236224

IUPACN-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1cn(C)c2ccccc12
InChIInChI=1S/C15H22N2S/c1-17-12-13(11-16-9-5-6-10-18-2)14-7-3-4-8-15(14)17/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyGQVDABZFIBGCNV-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.41
Rot. Bonds7

About N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine

N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine (PubChem CID 107236224) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
PubChem CID107236224
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
SMILESCSCCCCNCc1cn(C)c2ccccc12
InChIInChI=1S/C15H22N2S/c1-17-12-13(11-16-9-5-6-10-18-2)14-7-3-4-8-15(14)17/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3
InChIKeyGQVDABZFIBGCNV-UHFFFAOYSA-N
XLogP3.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.41
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

6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylindazol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113239083
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
CID 104923026
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine (CID 107236224) is N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine is CSCCCCNCc1cn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine?
The InChIKey is GQVDABZFIBGCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-17-12-13(11-16-9-5-6-10-18-2)14-7-3-4-8-15(14)17/h3-4,7-8,12,16H,5-6,9-11H2,1-2H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine?
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 107236224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).