N,N-Diethyl-2-{[17-(methoxyimino)androst-5-en-3-yl]oxy}ethan-1-amine
Basic information
- CAS
6157-77-3- Standard SMILES
CCN(CC)CCOC1CCC2(C)C(=CCC3C2CCC2(C)C(=NOC)CCC32)C1- InChIKey
NKKZEXYJRUNXIR-UHFFFAOYSA-N- Molecular formula
- C26H44N2O2
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.34027865
Names & identifiers
- Preferred name
- N,N-Diethyl-2-{[17-(methoxyimino)androst-5-en-3-yl]oxy}ethan-1-amine
- IUPAC
- N,N-diethyl-2-[(17-methoxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)oxy]ethanamine
Names & synonyms
6157-77-3DTXSID00274729N,N-Diethyl-2-{[17-(methoxyimino)androst-5-en-3-yl]oxy}ethan-1-amine
Database identifiers
- CAS
6157-77-3- PubChem CID
- 22533
- DTXSID
DTXSID00274729
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 670
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Compound notes
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