Basic information
- CAS
281-29-8- Standard SMILES
C1C2CN3CC1CN(C2)C3- InChIKey
QQQIDWOQAXJWFO-UHFFFAOYSA-N- Molecular formula
- C8H14N2
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.11569846
Names & identifiers
- Preferred name
- 1,3-Diazaadamantane
- IUPAC
- 1,3-diazatricyclo[3.3.1.13,7]decane
- English name
- 1,3-Diazaadamantane
- Molecular formula
- C8H14N2
- Molecular weight
- 138.21
Names & synonyms
1,3-Diazaadamantane281-29-81,3-Diazatricyclo(3.3.1.13,7)decane1,3-Diazatricyclo[3.3.1.13,7]decaneSCHEMBL3159686SCHEMBL16761665DTXSID20182377QQQIDWOQAXJWFO-UHFFFAOYSA-N1,3-Diazatricyclo[3.3.1.1<3,7>]decane1,3-Diazatricyclo[3.3.1.1~3,7~]decane
Database identifiers
- CAS
281-29-8- PubChem CID
- 136107
- DTXSID
DTXSID20182377- Nikkaji
- J79.575E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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