N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine

C14H20N2S — CID 113474415

IUPACN-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
SMILESCNCc1cc2ccccc2n1CCCSC
InChIInChI=1S/C14H20N2S/c1-15-11-13-10-12-6-3-4-7-14(12)16(13)8-5-9-17-2/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3
InChIKeySNRNBVARBMLKAZ-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.11
Rot. Bonds6

About N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine

N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine (PubChem CID 113474415) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
PubChem CID113474415
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
SMILESCNCc1cc2ccccc2n1CCCSC
InChIInChI=1S/C14H20N2S/c1-15-11-13-10-12-6-3-4-7-14(12)16(13)8-5-9-17-2/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3
InChIKeySNRNBVARBMLKAZ-UHFFFAOYSA-N
XLogP3.11
TPSA16.96 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 ≤ 53.11
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

N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
CID 106731932
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 65490558
1-(1-fluoroindol-2-yl)-N-methylmethanamine
CID 68501353
N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
CID 104649908
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
1-nonyl-2-propylindole
CID 19869956
N-[[1-(3-ethoxypropyl)indol-2-yl]methyl]-2-methylpropan-1-amine
CID 65178002
9-(4-methylsulfanylbutyl)carbazole
CID 177244640
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
CID 106458265

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine (CID 113474415) is N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine is CNCc1cc2ccccc2n1CCCSC.
What is the InChIKey of N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine?
The InChIKey is SNRNBVARBMLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-15-11-13-10-12-6-3-4-7-14(12)16(13)8-5-9-17-2/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine?
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine has a molecular weight of 248.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine is sourced from PubChem (CID 113474415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).