3-(Tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenylpropan-1-one
Basic information
- CAS
75030-66-9- Standard SMILES
CC(C)(C)NCC(CNC(C)(C)C)C(=O)c1ccccc1- InChIKey
BVPRRSRVYCCLEP-UHFFFAOYSA-N- Molecular formula
- C18H30N2O
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.23581359
Names & identifiers
- Preferred name
- 3-(Tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenylpropan-1-one
- IUPAC
- 3-(tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenylpropan-1-one
Names & synonyms
75030-66-9NSC3134313-(tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenylpropan-1-oneDTXSID00317261NSC-313431
Database identifiers
- CAS
75030-66-9- PubChem CID
- 329640
- DTXSID
DTXSID00317261
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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