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Molecule
N,N-Dipropyltryptamine
CAS: 61-52-9 · C16H24N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61-52-9
- Molecular Formula
- C16H24N2
- Molecular Mass
- 244.38 g/mol
Identifiers
CAS Registry Number
61-52-9
SMILES
CCCN(CCC)CCc1c[nH]c2ccccc12
InChI Key
BOOQTIHIKDDPRW-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
Names and Synonyms
- N,N-Dipropyltryptamine Systematic Name
- N,N-Dipropyl-1H-indole-3-ethanamine Synonym
- 1H-Indole-3-ethanamine, N,N-dipropyl- Synonym
- Indole, 3-[2-(dipropylamino)ethyl]- Synonym
- N,N-Dipropyltryptamine Synonym
- DPT Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 244.38 g/mol | CAS Common Chemistry |
| 244.382 g/mol | RDKit | |
| 245.39 g/mol | chempirical lib | |
| Canonical SMILES | C=1C=CC2=C(C1)NC=C2CCN(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H24N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BOOQTIHIKDDPRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-178 °C | CAS Common Chemistry |
| Name | N,N-Dipropyltryptamine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 19.03 Ų | RDKit |
| LogP | 3.8324000000000025 | RDKit |
| 3.8324 | RDKit | |
| 4.03 | chempirical lib | |
| Molar Refractivity | 79.02470000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 244.19394876799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 244.38 g/mol. Edit any field — others recompute live.
