17-Amino-4-azaandrostane
Basic information
- CAS
33208-74-1- Standard SMILES
C[C@]12CCCN[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](N)CC[C@@H]12- InChIKey
MMXIDJBKJXKVCE-KTSXYBPLSA-N- Molecular formula
- C18H32N2
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 276.25654903
Overview
structure
Names & identifiers
- Preferred name
- 17-Amino-4-azaandrostane
- IUPAC
- (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1H-indeno[5,4-f]quinolin-1-amine
Names & synonyms
17-Amino-4-azaandrostaneRefChem:7914917 beta-amino-4-aza-5 alpha-androstane33208-74-117beta-Amino-4-aza-5alpha-androstaneNSC 217379SCHEMBL38699284-Azaandrostan-17-amine, (5alpha,17beta)-
Database identifiers
- CAS
33208-74-1- PubChem CID
- 99341
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
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Related reactions
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Compound notes
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