Basic information
- CAS
468-41-7- Standard SMILES
CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)NC[C@@]54CC[C@@H]32)C1- InChIKey
SHCHXCXYUPHKHW-QLPKIABKSA-N- Molecular formula
- C22H36N2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.28784916
Names & identifiers
- Preferred name
- Conimine
- IUPAC
- (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
- English name
- Conimine
- Molecular formula
- C22H36N2
- Molecular weight
- 328.53464
Names & synonyms
Conimine468-41-7Norcon-5-enine, 3beta-(methylamino)-N-Methyl-23-norcon-5-enin-3-amine (3beta)-23-Norcon-5-enin-3-amine, N-methyl-, (3beta)-Norcon-5-enine, 3.beta.-(methylamino)-RefChem:33431523-Norcon-5-enin-3-amine, N-methyl-, (3.beta.)-Coniminorb3237486SCHEMBL30019624DTXSID40963665
Show more names
N-Methyl-23-norconanin-5-en-3β-amine23-Norcon-5-enin-3-amine, N-methyl-, (3β)-
(3S,3aS,5aS,5bR,9S,11aR,11bS,13aR)-N,3,11a-trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amineN,3,11a-Trimethyl-2,3,3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-hexadecahydro-1H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine
Database identifiers
- CAS
468-41-7- PubChem CID
- 101686
- DTXSID
DTXSID40963665- Nikkaji
- J111.647I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- Boiling point
- 449.5 · 449.5±45.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 11.38 · 11.38±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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