1-(1-Isopropyl-2-methyl-2,3-butadienyl)pyrrolidine
Basic information
- CAS
80305-62-0- Standard SMILES
C=C=C(C)C(C(C)C)N1CCCC1- InChIKey
DOKYOMHOUOXLHI-UHFFFAOYSA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Names & identifiers
- Preferred name
- 1-(1-Isopropyl-2-methyl-2,3-butadienyl)pyrrolidine
- IUPAC
- 1-(2,4-dimethylhexa-4,5-dien-3-yl)pyrrolidine
Names & synonyms
80305-62-01-(1-Isopropyl-2-methyl-2,3-butadienyl)pyrrolidineNSC355953NSC-355953NSC 35595398Z37P3HDC1-(1-isopropyl-2-methyl-buta-2,3-dienyl)pyrrolidine1-[2-Methyl-1-(1-methylethyl)-2,3-butadien-1-yl]pyrrolidinePyrrolidine, 1-[2-methyl-1-(1-methylethyl)-2,3-butadien-1-yl]-
Database identifiers
- CAS
80305-62-0- PubChem CID
- 337533
- UNII
- 98Z37P3HDC
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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