Basic information
- CAS
166040-10-4- Standard SMILES
NC12CC3CC4C1CC1CC2C(C3)C4(N)C1- InChIKey
WMBTVDOFORJFEB-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- 1,6-Diaminodiamantane
- IUPAC
- pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1,6-diamine
Names & synonyms
1,6-Diaminodiamantane166040-10-4Octahydro-2,8,4,6-(epibutane[1,2,3,4]tetrayl)naphthalene-4,8-diamineNSC706836CHEMBL1983164SCHEMBL29704526DTXSID801174309NSC-706836NCI60_037999Octahydro-3,5,1,7-[1,2,3,4]butanetetraylnaphthalene-1,5-diaminePentacyclo[7.3.1.1~4,12~.0~2,7~.0~6,11~]tetradecane-1,6-diamine
Database identifiers
- CAS
166040-10-4- PubChem CID
- 397911
- DTXSID
DTXSID801174309- ChEMBL
CHEMBL1983164- Nikkaji
- J656.913G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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