3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine

C17H26N2O — CID 104649927

IUPAC3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cn(CCCCOC)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-18-11-7-8-15-14-19(12-5-6-13-20-2)17-10-4-3-9-16(15)17/h3-4,9-10,14,18H,5-8,11-13H2,1-2H3
InChIKeyGVZQLFRPKPFWQL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.22
Rot. Bonds9

About 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine

3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine (PubChem CID 104649927) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
PubChem CID104649927
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cn(CCCCOC)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-18-11-7-8-15-14-19(12-5-6-13-20-2)17-10-4-3-9-16(15)17/h3-4,9-10,14,18H,5-8,11-13H2,1-2H3
InChIKeyGVZQLFRPKPFWQL-UHFFFAOYSA-N
XLogP3.22
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.22
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

4-[1-(2-methoxyethyl)indol-3-yl]butanoic acid
CID 43246925
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
1-(2-methoxyethyl)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864406
3-[3-[(2-methoxyethylamino)methyl]indol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526179
3-(3-chloroindol-1-yl)-N-methylpropan-1-amine
CID 62804121
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
1-(4-methoxybutyl)indole-3-sulfonamide
CID 113437295
N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine
CID 115979503
3-[1-(3-ethoxypropyl)indol-3-yl]propan-1-amine
CID 65177726
4-(3-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62803414

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine (CID 104649927) is 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine is CNCCCc1cn(CCCCOC)c2ccccc12.
What is the InChIKey of 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine?
The InChIKey is GVZQLFRPKPFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18-11-7-8-15-14-19(12-5-6-13-20-2)17-10-4-3-9-16(15)17/h3-4,9-10,14,18H,5-8,11-13H2,1-2H3.
What are the key properties of 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine?
3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxybutyl)indol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 104649927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).