1-(Indolyl)-3-isopropylmethylpropargylamine
Basic information
- CAS
86995-94-0- Standard SMILES
C#CCN(C)C(C)Cc1c[nH]c2ccccc12- InChIKey
YBSNMTKOPMOXSG-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.14699858
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-(Indolyl)-3-isopropylmethylpropargylamine
- IUPAC
- 1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
- English name
- 1-(indolyl)-3-isopropylmethylpropargylamine
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
IIPMA86995-94-01H-Indole-3-ethanamine, N,alpha-dimethyl-N-2-propynyl-1-(Indolyl)-3-isopropylmethylpropargylamineRefChem:747041-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amineSCHEMBL29777958DTXSID301007240N-[1-(1H-Indol-3-yl)propan-2-yl]-N-methylprop-2-yn-1-amine
Database identifiers
- CAS
86995-94-0- PubChem CID
- 55911
- DTXSID
DTXSID301007240
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 384.627 · 384.627±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 17.189 · 17.189±0.30(predicted)
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Related reactions
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Compound notes
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