N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine | SBID = 553 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | |||
| Number of H-Bond Donors: | |||
| Number of H-Bond Acceptors: | |||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C9H13NO | ||
| M / g/mol: | 151.21 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine
- Preferred Abbreviation: N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine
- IUPAC Name: N-((5-methylfuran-2-yl)methyl)prop-2-en-1-amine
- CAS:
- CID: -126
- InChiKey: CBBZLJCSJYBGQU-UHFFFAOYSA-N
- InChi: InChI=1S/C9H13NO/c1-3-6-10-7-9-5-4-8(2)11-9/h3-5,10H,1,6-7H2,2H3
- CanoSmiles: C=CCNCC1=CC=C(C)O1
- IsoSmiles: C=CCNCC1=CC=C(C)O1
