Basic information
- Standard SMILES
CC1(C)C2CCC(C2)C1CCC(CCC1C2CCC(C2)C1(C)C)NCCC1CCN(CCCN)CC1- InChIKey
XTDBTALVUDHWHV-UHFFFAOYSA-N- Molecular formula
- C33H61N3
- Average molar mass
- 499.9 g/mol
- Monoisotopic mass
- 499.48654896
Names & identifiers
- Preferred name
- 1-(3-Aminopropyl)-4-[2-(1,5-di-[3,3-dimethylbicyclo[2.2.1]hept-2-yl]-3-pentylamino)ethyl]piperidine
- IUPAC
- N-[2-[1-(3-aminopropyl)piperidin-4-yl]ethyl]-1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-amine
Names & synonyms
SCHEMBL11710322XTDBTALVUDHWHV-UHFFFAOYSA-N1-(3-aminopropyl)-4-[2-(1,5-di-[3,3-dimethylbicyclo[2.2.1]hept-2-yl]-3-pentylamino)ethyl]piperidine
Database identifiers
- PubChem CID
- 21483969
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 651
Related reactions
1 records
Compound notes
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