Androst-5-ene-3,17-diamine, N3-methyl-, (3beta,17beta)-
Basic information
- CAS
2842-69-5- Standard SMILES
CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](N)[C@@]4(C)CC[C@@H]32)C1- InChIKey
IQPGPZYJBABJMD-RBZZARIASA-N- Molecular formula
- C20H34N2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.27219909
Names & identifiers
- Preferred name
- Androst-5-ene-3,17-diamine, N3-methyl-, (3beta,17beta)-
- IUPAC
- (3S,8R,9S,10R,13S,14S,17S)-3-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diamine
- English name
- N-Methylandrost-5-ene-3β,17β-diamine
- Molecular formula
- C20H34N2
- Molecular weight
- 302.49736
Names & synonyms
Androst-5-ene-3,17-diamine, N3-methyl-, (3.beta.,17.beta.)-2842-69-5RefChem:319547Androst-5-ene-3,17-diamine, N3-methyl-, (3beta,17beta)-Androst-5-ene-3.beta.,17.beta.-diamine, N3-methyl-N-Methylandrost-5-ene-3beta,17beta-diamineIQPGPZYJBABJMD-RBZZARIASA-NDTXSID701234401N~3~-Methylandrost-5-ene-3beta,17beta-diamineAndrost-5-ene-3,17-diamine, N3-methyl-, (3I(2),17I(2))-N-Methylandrost-5-ene-3β,17β-diamine
Database identifiers
- CAS
2842-69-5- PubChem CID
- 29518
- DTXSID
DTXSID701234401- Nikkaji
- J104.099E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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