N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine

C15H22N2O — CID 62534294

IUPACN-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCCCn1ccc2ccccc21
InChIInChI=1S/C15H22N2O/c1-13(12-18-2)16-9-5-10-17-11-8-14-6-3-4-7-15(14)17/h3-4,6-8,11,13,16H,5,9-10,12H2,1-2H3
InChIKeyOYGAKDBPEJIHEF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine

N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine (PubChem CID 62534294) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
PubChem CID62534294
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
SMILESCOCC(C)NCCCn1ccc2ccccc21
InChIInChI=1S/C15H22N2O/c1-13(12-18-2)16-9-5-10-17-11-8-14-6-3-4-7-15(14)17/h3-4,6-8,11,13,16H,5,9-10,12H2,1-2H3
InChIKeyOYGAKDBPEJIHEF-UHFFFAOYSA-N
XLogP2.66
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine (CID 62534294) is N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine is COCC(C)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine?
The InChIKey is OYGAKDBPEJIHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(12-18-2)16-9-5-10-17-11-8-14-6-3-4-7-15(14)17/h3-4,6-8,11,13,16H,5,9-10,12H2,1-2H3.
What are the key properties of N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine?
N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 62534294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).