Basic information
- CAS
919789-41-6- Standard SMILES
CCCCCC(C#N)NC(C)C- InChIKey
KIEFLCRUIPDOCO-UHFFFAOYSA-N- Molecular formula
- C10H20N2
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.16264865
Names & identifiers
- Preferred name
- 2-[(Propan-2-yl)amino]heptanenitrile
- IUPAC
- 2-(propan-2-ylamino)heptanenitrile
Names & synonyms
919789-41-62-[(Propan-2-yl)amino]heptanenitrileDTXSID40601919
Database identifiers
- CAS
919789-41-6- PubChem CID
- 20039932
- DTXSID
DTXSID40601919- Nikkaji
- J2.674.314A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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