Basic information
- CAS
70540-28-2- Standard SMILES
C#CC(C)(C)NC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
NWSJSPBJZCPUQZ-UHFFFAOYSA-N- Molecular formula
- C16H24N2O
- Average molar mass
- 260.37 g/mol
- Monoisotopic mass
- 260.18886339
Names & identifiers
- Preferred name
- N-(2-Methylbut-3-yn-2-yl)-N'-tricyclo[3.3.1.1~3,7~]decan-1-ylurea
- IUPAC
- 1-(1-adamantyl)-3-(2-methylbut-3-yn-2-yl)urea
Names & synonyms
70540-28-2NSC337599DTXSID30330943AKOS013321380N-(2-Methylbut-3-yn-2-yl)-N'-tricyclo[3.3.1.1~3,7~]decan-1-ylureaNSC-337599N-(Adamantan-1-yl)-N'-(2-methylbut-3-yn-2-yl)urea
Database identifiers
- CAS
70540-28-2- PubChem CID
- 433735
- DTXSID
DTXSID30330943
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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